# of Structure | MW | log P | HBD | HBA | RB | TPSA | # of Structure | MW | log P | HBD | HBA | RB | TPSA |
1 | 348.83 | 4.5 | 2 | 3 | 6 | 71.4 | 122 | 365.81 | 3.7 | 1 | 4 | 6 | 76.1 |
2 | 349.81 | 3.9 | 1 | 3 | 6 | 64.6 | 123 | 379.84 | 4.1 | 1 | 4 | 7 | 76.1 |
3 | 363.84 | 4.3 | 1 | 3 | 7 | 64.6 | 128 | 365.81 | 3.7 | 1 | 4 | 7 | 76.1 |
7 | 335.79 | 4.1 | 1 | 4 | 6 | 68.7 | 132 | 370.23 | 4.8 | 1 | 4 | 6 | 68.7 |
13 | 335.79 | 4.1 | 1 | 4 | 6 | 68.7 | 133 | 379.84 | 4.1 | 1 | 4 | 7 | 76.1 |
16 | 306.75 | 3.7 | 4 | 4 | 4 | 82.4 | 134 | 322.7 | 1.9 | 1 | 5 | 6 | 99.9 |
18 | 321.76 | 3.5 | 3 | 4 | 5 | 75.6 | 136 | 355.22 | 4.4 | 2 | 3 | 5 | 71.4 |
20 | 304.69 | 2.8 | 3 | 6 | 5 | 103.4 | 138 | 337.76 | 3.2 | 3 | 5 | 5 | 87.1 |
32 | 365.81 | 3.7 | 1 | 4 | 6 | 76.1 | 143 | 356.2 | 4.7 | 3 | 5 | 5 | 79.7 |
33 | 379.84 | 4.1 | 1 | 4 | 7 | 76.1 | 151 | 443.73 | 4.1 | 2 | 3 | 6 | 78.9 |
36 | 350.8 | 2.9 | 2 | 3 | 6 | 78.9 | 152 | 444.71 | 4.5 | 1 | 4 | 6 | 76.1 |
37 | 351.79 | 3.3 | 1 | 4 | 6 | 76.1 | 153 | 458.74 | 4.9 | 1 | 4 | 7 | 76.1 |
38 | 365.81 | 3.7 | 1 | 4 | 7 | 76.1 | 161 | 429.7 | 3.7 | 2 | 3 | 6 | 78.9 |
41 | 413.7 | 3.9 | 2 | 2 | 6 | 67.4 | 167 | 416.66 | 3.7 | 1 | 4 | 5 | 76.1 |
42 | 414.68 | 4.3 | 1 | 3 | 6 | 64.6 | 169 | 401.6 | 2.7 | 1 | 5 | 6 | 99.9 |
43 | 351.79 | 3.3 | 1 | 4 | 6 | 76.1 | 170 | 413.61 | 2.8 | 1 | 5 | 6 | 99.9 |
46 | 322.75 | 2.4 | 4 | 4 | 4 | 89.9 | 171 | 357.19 | 3.1 | 4 | 4 | 4 | 89.9 |
47 | 400.66 | 3.9 | 1 | 3 | 5 | 64.6 | 173 | 372.2 | 3.9 | 3 | 5 | 5 | 87.1 |
48 | 414.68 | 4.3 | 1 | 3 | 6 | 64.6 | 181 | 399.27 | 3.9 | 2 | 3 | 6 | 78.9 |
49 | 308.68 | 1.8 | 3 | 6 | 5 | 110.9 | 182 | 400.26 | 4.4 | 1 | 4 | 6 | 76.1 |
61 | 427.73 | 5.3 | 2 | 3 | 6 | 71.4 | 183 | 489.74 | 5.5 | 1 | 4 | 7 | 68.7 |
72 | 370.23 | 4.2 | 1 | 3 | 6 | 64.6 | 184 | 385.2 | 3.3 | 1 | 5 | 7 | 99.9 |
77 | 400.66 | 4.5 | 1 | 4 | 5 | 68.7 | 191 | 385.25 | 3.6 | 2 | 3 | 6 | 78.9 |
78 | 414.68 | 4.9 | 1 | 4 | 6 | 68.7 | 192 | 386.23 | 4 | 1 | 4 | 6 | 76.1 |
82 | 342.18 | 3.7 | 3 | 4 | 4 | 75.6 | 193 | 400.26 | 4.4 | 1 | 4 | 7 | 76.1 |
83 | 356.2 | 4.1 | 3 | 4 | 5 | 75.6 | 196 | 371.22 | 3.2 | 2 | 3 | 5 | 78.9 |
91 | 474.73 | 4.1 | 2 | 2 | 6 | 67.4 | 197 | 372.2 | 3.6 | 1 | 4 | 5 | 76.1 |
92 | 475.71 | 4.5 | 1 | 3 | 6 | 64.6 | 198 | 461.68 | 4.7 | 1 | 4 | 6 | 68.7 |
93 | 458.74 | 4.9 | 1 | 4 | 7 | 76.1 | 200 | 369.16 | 2.7 | 1 | 5 | 6 | 99.9 |
101 | 460.7 | 3.7 | 2 | 2 | 6 | 67.4 | 202 | 358.18 | 3.5 | 3 | 5 | 4 | 87.1 |
102 | 461.68 | 4.2 | 1 | 3 | 6 | 64.6 | 203 | 372.2 | 3.9 | 3 | 5 | 5 | 87.1 |
103 | 444.71 | 4.5 | 1 | 4 | 7 | 76.1 | 212 | 491.71 | 4.3 | 1 | 4 | 6 | 76.1 |
104 | 446.63 | 3.1 | 1 | 4 | 7 | 88.4 | 213 | 505.74 | 4.7 | 1 | 4 | 7 | 76.1 |
107 | 447.66 | 3.8 | 1 | 3 | 5 | 64.6 | 221 | 476.7 | 3.5 | 2 | 3 | 6 | 78.9 |
108 | 461.68 | 4.2 | 1 | 3 | 6 | 64.6 | 228 | 477.68 | 3.9 | 1 | 4 | 6 | 76.1 |
111 | 401.64 | 3.2 | 4 | 4 | 4 | 89.9 | 232 | 449.63 | 3.5 | 3 | 5 | 4 | 87.1 |
115 | 399.58 | 2.7 | 3 | 6 | 5 | 110.9 | |||||||
Specification | <500 | <5 | <5 | <10 | <10 | <140 | Specification | <500 | <5 | <5 | <10 | <10 | <140 |