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NCID-ZINC00387388

 MMsINC code: MMs02214579
Type: Neutral
Formula: C14H9F3N2O
SMILES:   FC(F)(F)C=1C=Cc2nc(cn2C=1)-c1ccc(O)cc1
InChI:   InChI=1/C14H9F3N2O/c15-14(16,17)10-3-6-13-18-12(8-19(13)7-10)9-1-4-11(20)5-2-9/h1-8,20H

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Potential Energy
Epot(MMFF94)=61.4579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.233 g/mol  logS: -3.74153  SlogP: 4.1056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00777111  Sterimol/B1: 2.12984  Sterimol/B2: 2.92383  Sterimol/B3: 3.17249
  Sterimol/B4: 4.95522  Sterimol/L: 15.6145 
 
 Surface and Volume Properties
  Accessible surface: 462.424  Positive charged surface: 197.133  Negative charged surface: 265.291  Volume: 230.625
  Hydrophobic surface: 279.242  Hydrophilic surface: 183.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.