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| SMILES: | O(C(=O)C(O)(c1ccccc1)c1ccccc1)CC(=O)NC(=O)NC1CCCCC1 |
| InChI: | InChI=1/C23H26N2O5/c26-20(25-22(28)24-19-14-8-3-9-15-19)16-30-21(27)23(29,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H2,24,25,26,28) |
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Potential Energy Epot(MMFF94)=98.2039 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 410.47 g/mol | logS: -5.20421 | SlogP: 2.9357 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0448356 | Sterimol/B1: 2.16325 | Sterimol/B2: 3.4984 | Sterimol/B3: 4.1239 | |||
| Sterimol/B4: 9.04877 | Sterimol/L: 20.5314 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 717.1 | Positive charged surface: 459.95 | Negative charged surface: 257.15 | Volume: 393.375 | |||
| Hydrophobic surface: 572.084 | Hydrophilic surface: 145.016 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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.