Search | Help | MolPaint | Roadmap | Credits | Feedback |
CHEMDIV-ZINC06806788 |
MMsINC code: MMs01034239 |
Type: Neutral Formula: C22H29ClN2O2
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=72.0346 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 388.939 g/mol | logS: -4.23389 | SlogP: 5.70594 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0810562 | Sterimol/B1: 3.07989 | Sterimol/B2: 4.45812 | Sterimol/B3: 4.63945 | |||
Sterimol/B4: 7.34699 | Sterimol/L: 17.2258 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 655.952 | Positive charged surface: 389.589 | Negative charged surface: 266.364 | Volume: 384.75 | |||
Hydrophobic surface: 529.621 | Hydrophilic surface: 126.331 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | 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: 1 | Oprea's lead like rule: 1 |
|