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| SMILES: | Fc1ccccc1Cn1c2c(CCCC2)c(C)c1C(=O)Nc1cc(ccc1)C |
| InChI: | InChI=1/C24H25FN2O/c1-16-8-7-10-19(14-16)26-24(28)23-17(2)20-11-4-6-13-22(20)27(23)15-18-9-3-5-12-21(18)25/h3,5,7-10,12,14H,4,6,11,13,15H2,1-2H3,(H,26,28) |
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Potential Energy Epot(MMFF94)=122.105 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 376.475 g/mol | logS: -5.6311 | SlogP: 5.68978 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.114466 | Sterimol/B1: 2.42315 | Sterimol/B2: 5.7184 | Sterimol/B3: 5.89079 | |||
| Sterimol/B4: 6.09815 | Sterimol/L: 16.4139 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 627.718 | Positive charged surface: 396.952 | Negative charged surface: 230.766 | Volume: 372.875 | |||
| Hydrophobic surface: 590.372 | Hydrophilic surface: 37.346 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | 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: 1 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.