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| SMILES: | O(C)c1ccc(NC(=O)CNC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)cc1 |
| InChI: | InChI=1/C24H29N3O4/c1-31-21-14-12-19(13-15-21)26-22(28)16-25-23(29)17-27(20-10-6-3-7-11-20)24(30)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,25,29)(H,26,28) |
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Potential Energy Epot(MMFF94)=377.048 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 423.513 g/mol | logS: -5.11554 | SlogP: 3.225 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.047709 | Sterimol/B1: 4.15179 | Sterimol/B2: 4.75196 | Sterimol/B3: 4.8176 | |||
| Sterimol/B4: 6.13739 | Sterimol/L: 21.1912 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 712.87 | Positive charged surface: 487.496 | Negative charged surface: 225.375 | Volume: 405.5 | |||
| Hydrophobic surface: 588.409 | Hydrophilic surface: 124.461 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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.