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| SMILES: | O(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc cc1 |
| InChI: | InChI=1/C30H27N3O5/c1-38-24-17-13-21(14-18-24)28(35)32-26-10-6-5-9-25(26)29(36)33-27(19-20-11-15-23(34)16-12-20)30(37)31-22-7-3-2-4-8-22/h2-18,27,34H,19H2,1H3,(H,31,37)(H,32,35)(H,33,36)/t27-/m0/s1 |
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Potential Energy Epot(MMFF94)=167.149 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 509.562 g/mol | logS: -7.01523 | SlogP: 4.63287 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.282372 | Sterimol/B1: 3.5397 | Sterimol/B2: 5.37329 | Sterimol/B3: 8.35298 | |||
| Sterimol/B4: 10.3025 | Sterimol/L: 15.7962 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 837.846 | Positive charged surface: 498.046 | Negative charged surface: 339.801 | Volume: 483.5 | |||
| Hydrophobic surface: 697.896 | Hydrophilic surface: 139.95 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.