Descriptor/Properties |
| Value | |||
CID 5318998 | CID 5320385 | CID 5320386 | CID 33613 | Units | |
Molecular weight | 338.4 | 494.5 | 494.5 | 365.4 | g/mol |
Rotatable bonds | 6 | 2 | 1 | 4 | - |
H. Acceptors | 4 | 7 | 7 | 6 | - |
H. Donors | 2 | 5 | 5 | 4 | - |
LogP | 4.5112 | 4.36252 | 4.88424 | 0.0237 | - |
Num. arom. heavy atoms | 12 | 24 | 24 | 6 | - |
Fraction Csp3 | 0.19 | 0.13 | 0.13 | 0.44 | - |
Num. of heavy atoms | 25 | 37 | 24 | 25 |
|
Topological polar surface area | 66.76 | 135.29 | 135.29 | 158.26 | Å2 |
Molar refractivity | 100.39 | 135.73 | 136.59 | 94.59 | - |