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| SMILES: | O(C(=O)CNC(=O)c1ccc(cc1)-c1ccccc1)CC(=O)N(C)C1CCCCC1 |
| InChI: | InChI=1/C24H28N2O4/c1-26(21-10-6-3-7-11-21)22(27)17-30-23(28)16-25-24(29)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,25,29) |
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Potential Energy Epot(MMFF94)=102.018 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 408.498 g/mol | logS: -5.90328 | SlogP: 3.4177 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.0129667 | Sterimol/B1: 3.08483 | Sterimol/B2: 3.62432 | Sterimol/B3: 3.62454 | |||
| Sterimol/B4: 6.74441 | Sterimol/L: 25.1614 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 732.976 | Positive charged surface: 463.571 | Negative charged surface: 258.769 | Volume: 408.375 | |||
| Hydrophobic surface: 612.386 | Hydrophilic surface: 120.59 | |||||
| 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.