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| SMILES: | O(CC(=O)NC1CCCCC1)c1ccccc1C(=O)NCCc1ccccc1 |
| InChI: | InChI=1/C23H28N2O3/c26-22(25-19-11-5-2-6-12-19)17-28-21-14-8-7-13-20(21)23(27)24-16-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,24,27)(H,25,26) |
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Potential Energy Epot(MMFF94)=86.0185 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 380.488 g/mol | logS: -5.05447 | SlogP: 3.48677 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0369924 | Sterimol/B1: 2.46279 | Sterimol/B2: 3.6087 | Sterimol/B3: 3.70816 | |||
| Sterimol/B4: 11.4559 | Sterimol/L: 18.8979 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 720.535 | Positive charged surface: 486.759 | Negative charged surface: 233.776 | Volume: 386.5 | |||
| Hydrophobic surface: 640.215 | Hydrophilic surface: 80.32 | |||||
| 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.