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| SMILES: | O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N |
| InChI: | InChI=1/C19H27N3O4/c1-19(2,3)26-18(25)22-11-7-10-15(22)17(24)21-14(16(20)23)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H2,20,23)(H,21,24)/t14-,15-/m1/s1 |
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Potential Energy Epot(MMFF94)=81.2433 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 361.442 g/mol | logS: -3.54845 | SlogP: 1.59867 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.19951 | Sterimol/B1: 4.06616 | Sterimol/B2: 4.11232 | Sterimol/B3: 5.14131 | |||
| Sterimol/B4: 8.27057 | Sterimol/L: 13.827 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 636.243 | Positive charged surface: 436.076 | Negative charged surface: 200.167 | Volume: 353.75 | |||
| Hydrophobic surface: 464.649 | Hydrophilic surface: 171.594 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | 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: 0 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.