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ENAMINE-ZINC06642894 |
MMsINC code: MMs01689090 |
Type: Neutral Formula: C19H24FNO3
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Potential Energy Epot(MMFF94)=67.4113 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 333.403 g/mol | logS: -4.92811 | SlogP: 3.323 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0395647 | Sterimol/B1: 2.37281 | Sterimol/B2: 3.69458 | Sterimol/B3: 4.8108 | |||
Sterimol/B4: 5.33547 | Sterimol/L: 19.6297 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 618.826 | Positive charged surface: 371.697 | Negative charged surface: 247.129 | Volume: 328 | |||
Hydrophobic surface: 498.35 | Hydrophilic surface: 120.476 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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