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ASINEX-ZINC03161408

 MMsINC code: MMs00287458
Type: Neutral
Formula: C9H12F5NO
SMILES:   FC(F)(C(=O)NC1CCCCC1)C(F)(F)F
InChI:   InChI=1/C9H12F5NO/c10-8(11,9(12,13)14)7(16)15-6-4-2-1-3-5-6/h6H,1-5H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=40.6172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.191 g/mol  logS: -3.02058  SlogP: 3.4727  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0882049  Sterimol/B1: 2.82342  Sterimol/B2: 3.25657  Sterimol/B3: 3.50853
  Sterimol/B4: 4.1251  Sterimol/L: 12.8546 
 
 Surface and Volume Properties
  Accessible surface: 403.641  Positive charged surface: 194.266  Negative charged surface: 209.375  Volume: 188.625
  Hydrophobic surface: 210.707  Hydrophilic surface: 192.934
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.