![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
ENAMINE-ZINC04647180 |
MMsINC code: MMs01550790 |
Type: Neutral Formula: C24H36N2O
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=130.639 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 368.565 g/mol | logS: -6.17723 | SlogP: 4.98182 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.166391 | Sterimol/B1: 2.40887 | Sterimol/B2: 3.36344 | Sterimol/B3: 5.88032 | |||
Sterimol/B4: 10.46 | Sterimol/L: 14.3617 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 622.672 | Positive charged surface: 475.877 | Negative charged surface: 146.795 | Volume: 389.5 | |||
Hydrophobic surface: 558.944 | Hydrophilic surface: 63.728 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|