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| SMILES: | Fc1ccc(N(C(=O)CCC(=O)Nc2ncccc2)CC(=O)NC2CCCCC2)cc1 |
| InChI: | InChI=1/C23H27FN4O3/c24-17-9-11-19(12-10-17)28(16-22(30)26-18-6-2-1-3-7-18)23(31)14-13-21(29)27-20-8-4-5-15-25-20/h4-5,8-12,15,18H,1-3,6-7,13-14,16H2,(H,26,30)(H,25,27,29) |
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Potential Energy Epot(MMFF94)=79.9825 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 426.492 g/mol | logS: -4.23306 | SlogP: 3.4215 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0544281 | Sterimol/B1: 2.78774 | Sterimol/B2: 3.92963 | Sterimol/B3: 4.28782 | |||
| Sterimol/B4: 9.66491 | Sterimol/L: 21.0435 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 742.215 | Positive charged surface: 509.066 | Negative charged surface: 233.149 | Volume: 405.625 | |||
| Hydrophobic surface: 623.968 | Hydrophilic surface: 118.247 | |||||
| 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.