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| SMILES: | OC(=O)CCCC(=O)Nc1ccc(cc1)C(=O)Nc1ncccc1 |
| InChI: | InChI=1/C17H17N3O4/c21-15(5-3-6-16(22)23)19-13-9-7-12(8-10-13)17(24)20-14-4-1-2-11-18-14/h1-2,4,7-11H,3,5-6H2,(H,19,21)(H,22,23)(H,18,20,24) |
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Potential Energy Epot(MMFF94)=64.1519 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 327.34 g/mol | logS: -2.57153 | SlogP: 2.5273 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0118129 | Sterimol/B1: 2.13377 | Sterimol/B2: 3.45101 | Sterimol/B3: 3.8227 | |||
| Sterimol/B4: 4.68303 | Sterimol/L: 21.5786 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 592.463 | Positive charged surface: 375.64 | Negative charged surface: 216.823 | Volume: 299.375 | |||
| Hydrophobic surface: 398.444 | Hydrophilic surface: 194.019 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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
