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ENAMINE-ZINC03363013 |
MMsINC code: MMs01396934 |
Type: Neutral Formula: C19H19F3N2O2
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Potential Energy Epot(MMFF94)=94.8865 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 364.367 g/mol | logS: -4.84547 | SlogP: 3.92867 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0809548 | Sterimol/B1: 2.15207 | Sterimol/B2: 4.74375 | Sterimol/B3: 5.14855 | |||
Sterimol/B4: 5.70194 | Sterimol/L: 15.8271 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 568.568 | Positive charged surface: 294.054 | Negative charged surface: 274.514 | Volume: 320.875 | |||
Hydrophobic surface: 406.589 | Hydrophilic surface: 161.979 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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