 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | Fc1ccc(cc1)CN(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC(CC)(C)C |
| InChI: | InChI=1/C23H29FN4O3/c1-4-23(2,3)27-21(30)16-28(15-17-8-10-18(24)11-9-17)22(31)13-12-20(29)26-19-7-5-6-14-25-19/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,27,30)(H,25,26,29) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=92.3397 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 428.508 g/mol | logS: -3.88936 | SlogP: 3.5394 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0399174 | Sterimol/B1: 2.82345 | Sterimol/B2: 3.43522 | Sterimol/B3: 3.44384 | |||
| Sterimol/B4: 10.272 | Sterimol/L: 21.0965 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 749.078 | Positive charged surface: 484.744 | Negative charged surface: 264.333 | Volume: 415.875 | |||
| Hydrophobic surface: 575.381 | Hydrophilic surface: 173.697 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
|
Ions/Tautomers related molecules: no related molecules available.