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ASINEX-ZINC03156123

 MMsINC code: MMs00287194
Type: Neutral
Formula: C10H12F7NO2
SMILES:   FC(F)(C(=O)N1CCC(CC1)C)C(F)(F)OC(F)(F)F
InChI:   InChI=1/C10H12F7NO2/c1-6-2-4-18(5-3-6)7(19)8(11,12)9(13,14)20-10(15,16)17/h6H,2-5H2,1H3

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Potential Energy
Epot(MMFF94)=31.3711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.197 g/mol  logS: -3.67072  SlogP: 4.2691  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0641665  Sterimol/B1: 2.55338  Sterimol/B2: 3.1498  Sterimol/B3: 3.84215
  Sterimol/B4: 4.51334  Sterimol/L: 14.6452 
 
 Surface and Volume Properties
  Accessible surface: 452.077  Positive charged surface: 202.943  Negative charged surface: 249.135  Volume: 218.5
  Hydrophobic surface: 199.937  Hydrophilic surface: 252.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.