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CHEMBLOCK-ZINC00237601

 MMsINC code: MMs00503331
Type: Neutral
Formula: C10H6F3NO2
SMILES:   FC(F)(F)c1onc(c1)-c1ccccc1O
InChI:   InChI=1/C10H6F3NO2/c11-10(12,13)9-5-7(14-16-9)6-3-1-2-4-8(6)15/h1-5,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.157 g/mol  logS: -3.27393  SlogP: 3.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171079  Sterimol/B1: 2.19287  Sterimol/B2: 2.512  Sterimol/B3: 2.83664
  Sterimol/B4: 5.71961  Sterimol/L: 12.5941 
 
 Surface and Volume Properties
  Accessible surface: 389.194  Positive charged surface: 138.763  Negative charged surface: 250.43  Volume: 177.25
  Hydrophobic surface: 211.014  Hydrophilic surface: 178.18
 
 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.