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| SMILES: | O(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)CC(=O)NC1CCCCC1C |
| InChI: | InChI=1/C24H25NO5/c1-16-7-5-6-10-20(16)25-21(26)15-30-24(29)19-13-11-18(12-14-19)23(28)22(27)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,25,26)/t16-,20+/m1/s1 |
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Potential Energy Epot(MMFF94)=99.4585 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 407.466 g/mol | logS: -6.01625 | SlogP: 3.6039 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.0530991 | Sterimol/B1: 2.07835 | Sterimol/B2: 3.86752 | Sterimol/B3: 6.64788 | |||
| Sterimol/B4: 6.77446 | Sterimol/L: 19.9838 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 716.813 | Positive charged surface: 423.188 | Negative charged surface: 293.625 | Volume: 396.375 | |||
| Hydrophobic surface: 563.495 | Hydrophilic surface: 153.318 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | 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.