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| SMILES: | O(CC(=O)Nc1ccccc1C(C)C)c1ccc(cc1)C(=O)NC1CCCCC1 |
| InChI: | InChI=1/C24H30N2O3/c1-17(2)21-10-6-7-11-22(21)26-23(27)16-29-20-14-12-18(13-15-20)24(28)25-19-8-4-3-5-9-19/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3,(H,25,28)(H,26,27) |
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Potential Energy Epot(MMFF94)=102.843 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 394.515 g/mol | logS: -6.23987 | SlogP: 4.89 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0210085 | Sterimol/B1: 2.429 | Sterimol/B2: 2.51897 | Sterimol/B3: 4.78523 | |||
| Sterimol/B4: 8.01442 | Sterimol/L: 22.3295 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 730.565 | Positive charged surface: 481.666 | Negative charged surface: 248.899 | Volume: 401.5 | |||
| Hydrophobic surface: 613.902 | Hydrophilic surface: 116.663 | |||||
| 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 | ||||
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Ions/Tautomers related molecules: no related molecules available.