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| SMILES: | O=C([O-])c1ccccc1NC(=O)CCCCCNC(=O)C |
| InChI: | InChI=1/C15H20N2O4/c1-11(18)16-10-6-2-3-9-14(19)17-13-8-5-4-7-12(13)15(20)21/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,18)(H,17,19)(H,20,21)/p-1 |
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Potential Energy Epot(MMFF94)=9.1414 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 291.327 g/mol | logS: -2.48398 | SlogP: 0.6851 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.00924604 | Sterimol/B1: 2.36455 | Sterimol/B2: 2.51448 | Sterimol/B3: 3.91068 | |||
| Sterimol/B4: 5.46755 | Sterimol/L: 20.0264 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 570.026 | Positive charged surface: 351.174 | Negative charged surface: 218.852 | Volume: 282.375 | |||
| Hydrophobic surface: 400.628 | Hydrophilic surface: 169.398 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | 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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