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IBS-ZINC00510012

 MMsINC code: MMs01743520
Type: Neutral
Formula: C10H7F2NO2
SMILES:   FC(F)c1noc(c1)-c1ccccc1O
InChI:   InChI=1/C10H7F2NO2/c11-10(12)7-5-9(15-13-7)6-3-1-2-4-8(6)14/h1-5,10,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.167 g/mol  logS: -2.71905  SlogP: 3.0803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042471  Sterimol/B1: 2.48073  Sterimol/B2: 2.96091  Sterimol/B3: 3.09866
  Sterimol/B4: 5.6026  Sterimol/L: 12.6459 
 
 Surface and Volume Properties
  Accessible surface: 388.062  Positive charged surface: 180.606  Negative charged surface: 207.456  Volume: 173.625
  Hydrophobic surface: 237.884  Hydrophilic surface: 150.178
 
 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.