 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | O=C(N(Cc1ccccc1)CC(=O)NCC(=O)Nc1cc(ccc1)C)C1CCCC1 |
| InChI: | InChI=1/C24H29N3O3/c1-18-8-7-13-21(14-18)26-22(28)15-25-23(29)17-27(16-19-9-3-2-4-10-19)24(30)20-11-5-6-12-20/h2-4,7-10,13-14,20H,5-6,11-12,15-17H2,1H3,(H,25,29)(H,26,28) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=111.646 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 407.514 g/mol | logS: -5.40724 | SlogP: 3.53512 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0400306 | Sterimol/B1: 3.15019 | Sterimol/B2: 3.69896 | Sterimol/B3: 6.19357 | |||
| Sterimol/B4: 6.73687 | Sterimol/L: 20.5274 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 717.819 | Positive charged surface: 474.333 | Negative charged surface: 243.486 | Volume: 407 | |||
| Hydrophobic surface: 611.85 | Hydrophilic surface: 105.969 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | 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.