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CHEMBLOCK-ZINC04786710

 MMsINC code: MMs00580430
Type: Neutral
Formula: C10H6F3NO2
SMILES:   FC(F)(F)c1noc(c1)-c1ccccc1O
InChI:   InChI=1/C10H6F3NO2/c11-10(12,13)9-5-8(16-14-9)6-3-1-2-4-7(6)15/h1-5,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.4307 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: 0.0432909  Sterimol/B1: 2.48423  Sterimol/B2: 2.9618  Sterimol/B3: 3.12387
  Sterimol/B4: 5.61604  Sterimol/L: 12.6353 
 
 Surface and Volume Properties
  Accessible surface: 395.135  Positive charged surface: 151.432  Negative charged surface: 243.702  Volume: 177.125
  Hydrophobic surface: 214.976  Hydrophilic surface: 180.159
 
 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.