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| SMILES: | O=C(NC(C)c1ccccc1)C(CCCCC)C(=O)NC(C)c1ccccc1 |
| InChI: | InChI=1/C24H32N2O2/c1-4-5-8-17-22(23(27)25-18(2)20-13-9-6-10-14-20)24(28)26-19(3)21-15-11-7-12-16-21/h6-7,9-16,18-19,22H,4-5,8,17H2,1-3H3,(H,25,27)(H,26,28)/t18-,19-/m0/s1 |
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Potential Energy Epot(MMFF94)=58.2431 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 380.532 g/mol | logS: -6.27047 | SlogP: 5.1287 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.107515 | Sterimol/B1: 2.27909 | Sterimol/B2: 4.06925 | Sterimol/B3: 4.60601 | |||
| Sterimol/B4: 11.0807 | Sterimol/L: 18.347 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 722.143 | Positive charged surface: 454.887 | Negative charged surface: 267.256 | Volume: 405.25 | |||
| Hydrophobic surface: 618.884 | Hydrophilic surface: 103.259 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | 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: 1 | Oprea's lead like rule: 1 | ||||
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