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APOLLO-ZINC02526222

 MMsINC code: MMs00052832
Type: Neutral
Formula: C7H2Cl2F3NO2
SMILES:   Clc1c([N+](=O)[O-])c(Cl)ccc1C(F)(F)F
InChI:   InChI=1/C7H2Cl2F3NO2/c8-4-2-1-3(7(10,11)12)5(9)6(4)13(14)15/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.998 g/mol  logS: -4.70024  SlogP: 4.2319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651617  Sterimol/B1: 2.86389  Sterimol/B2: 2.86621  Sterimol/B3: 3.12016
  Sterimol/B4: 5.9594  Sterimol/L: 9.99309 
 
 Surface and Volume Properties
  Accessible surface: 360.025  Positive charged surface: 53.3396  Negative charged surface: 306.685  Volume: 165.875
  Hydrophobic surface: 193.471  Hydrophilic surface: 166.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.