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| SMILES: | OC(=O)C(CCCNC(=O)c1ccccc1)(CCCNC(=O)c1ccccc1)C(O)=O |
| InChI: | InChI=1/C23H26N2O6/c26-19(17-9-3-1-4-10-17)24-15-7-13-23(21(28)29,22(30)31)14-8-16-25-20(27)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31) |
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Potential Energy Epot(MMFF94)=63.6064 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 426.469 g/mol | logS: -3.90128 | SlogP: 2.5624 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0228627 | Sterimol/B1: 3.14304 | Sterimol/B2: 4.51531 | Sterimol/B3: 4.51705 | |||
| Sterimol/B4: 5.40869 | Sterimol/L: 24.4683 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 747.193 | Positive charged surface: 437.679 | Negative charged surface: 309.514 | Volume: 403.375 | |||
| Hydrophobic surface: 526.088 | Hydrophilic surface: 221.105 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | 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
