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| SMILES: | O=C(NC(c1ccccc1)c1ccccc1)C1(NC(=O)CNC(=O)C)CCCCC1 |
| InChI: | InChI=1/C24H29N3O3/c1-18(28)25-17-21(29)27-24(15-9-4-10-16-24)23(30)26-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,22H,4,9-10,15-17H2,1H3,(H,25,28)(H,26,30)(H,27,29) |
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Potential Energy Epot(MMFF94)=94.5839 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 407.514 g/mol | logS: -5.12255 | SlogP: 2.9429 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.307932 | Sterimol/B1: 2.14075 | Sterimol/B2: 4.37754 | Sterimol/B3: 6.29829 | |||
| Sterimol/B4: 11.2329 | Sterimol/L: 14.178 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 676.114 | Positive charged surface: 420.737 | Negative charged surface: 255.377 | Volume: 409 | |||
| Hydrophobic surface: 588.709 | Hydrophilic surface: 87.405 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | 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 | ||||
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Ions/Tautomers related molecules: no related molecules available.