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| SMILES: | O(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(OC)=O)(C)C)( C)C |
| InChI: | InChI=1/C26H33N3O6/c1-25(2,29-24(33)35-17-19-14-10-7-11-15-19)22(31)27-20(16-18-12-8-6-9-13-18)21(30)28-26(3,4)23(32)34-5/h6-15,20H,16-17H2,1-5H3,(H,27,31)(H,28,30)(H,29,33)/t20-/m1/s1 |
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Potential Energy Epot(MMFF94)=131.166 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 483.565 g/mol | logS: -5.49935 | SlogP: 2.75307 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.129329 | Sterimol/B1: 2.06782 | Sterimol/B2: 6.0995 | Sterimol/B3: 7.68076 | |||
| Sterimol/B4: 7.85411 | Sterimol/L: 19.1764 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 808.947 | Positive charged surface: 522.9 | Negative charged surface: 286.047 | Volume: 468.75 | |||
| Hydrophobic surface: 641.757 | Hydrophilic surface: 167.19 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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: 0 | Oprea's lead like rule: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.