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| SMILES: | O(CC(=O)N(CC)C1CCCCC1)c1cc(ccc1)C(=O)NCc1ccccc1 |
| InChI: | InChI=1/C24H30N2O3/c1-2-26(21-13-7-4-8-14-21)23(27)18-29-22-15-9-12-20(16-22)24(28)25-17-19-10-5-3-6-11-19/h3,5-6,9-12,15-16,21H,2,4,7-8,13-14,17-18H2,1H3,(H,25,28) |
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Potential Energy Epot(MMFF94)=81.2587 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 394.515 g/mol | logS: -5.21422 | SlogP: 4.443 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.031766 | Sterimol/B1: 2.55504 | Sterimol/B2: 3.00485 | Sterimol/B3: 4.50296 | |||
| Sterimol/B4: 7.46999 | Sterimol/L: 22.1826 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 715.181 | Positive charged surface: 467.1 | Negative charged surface: 248.081 | Volume: 403.375 | |||
| Hydrophobic surface: 624.756 | Hydrophilic surface: 90.425 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | 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.