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| SMILES: | O(C(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(CC)C)C(=O)N)C |
| InChI: | InChI=1/C19H34N4O5/c1-7-11(2)14(15(20)24)22-16(25)13-9-8-10-23(13)17(26)12(3)21-18(27)28-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,24)(H,21,27)(H,22,25)/t11-,12+,13-,14-/m0/s1 |
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Potential Energy Epot(MMFF94)=96.5963 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 398.504 g/mol | logS: -3.46483 | SlogP: 0.9068 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0895286 | Sterimol/B1: 3.19011 | Sterimol/B2: 3.85704 | Sterimol/B3: 5.92933 | |||
| Sterimol/B4: 7.34984 | Sterimol/L: 19.0553 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 707.174 | Positive charged surface: 502.1 | Negative charged surface: 205.074 | Volume: 395.375 | |||
| Hydrophobic surface: 438.43 | Hydrophilic surface: 268.744 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 4 | ||||||
| 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.