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| SMILES: | O(C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C( =O)N |
| InChI: | InChI=1/C25H40N4O5/c1-15(2)13-18(21(26)30)27-23(32)20(16(3)4)29-22(31)19(14-17-11-9-8-10-12-17)28-24(33)34-25(5,6)7/h8-12,15-16,18-20H,13-14H2,1-7H3,(H2,26,30)(H,27,32)(H,28,33)(H,29,31)/t18-,19-,20+/m1/s1 |
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Potential Energy Epot(MMFF94)=123.589 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 476.618 g/mol | logS: -5.5648 | SlogP: 2.27937 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0930704 | Sterimol/B1: 3.16892 | Sterimol/B2: 5.10156 | Sterimol/B3: 5.21733 | |||
| Sterimol/B4: 6.30722 | Sterimol/L: 20.1157 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 782.435 | Positive charged surface: 524.397 | Negative charged surface: 258.038 | Volume: 476.5 | |||
| Hydrophobic surface: 493.052 | Hydrophilic surface: 289.383 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 3 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.