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| SMILES: | O1CC(N(C(=O)c2ccccc2)C12CCCCC2)C(=O)NC(C)c1ccccc1 |
| InChI: | InChI=1/C24H28N2O3/c1-18(19-11-5-2-6-12-19)25-22(27)21-17-29-24(15-9-4-10-16-24)26(21)23(28)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3,(H,25,27)/t18-,21-/m0/s1 |
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Potential Energy Epot(MMFF94)=318.789 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 392.499 g/mol | logS: -5.51128 | SlogP: 4.1609 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.130739 | Sterimol/B1: 2.74269 | Sterimol/B2: 4.84096 | Sterimol/B3: 5.3415 | |||
| Sterimol/B4: 6.33052 | Sterimol/L: 15.1907 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 611.427 | Positive charged surface: 393.445 | Negative charged surface: 217.982 | Volume: 381.25 | |||
| Hydrophobic surface: 562.742 | Hydrophilic surface: 48.685 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | 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: 0 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.