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APOLLO-ZINC02382104

 MMsINC code: MMs00051743
Type: Neutral
Formula: C7H5ClF2O
SMILES:   Clc1c(OC)c(F)ccc1F
InChI:   InChI=1/C7H5ClF2O/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.565 g/mol  logS: -2.75951  SlogP: 2.6268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518551  Sterimol/B1: 2.10328  Sterimol/B2: 2.85779  Sterimol/B3: 3.87425
  Sterimol/B4: 4.74515  Sterimol/L: 9.97597 
 
 Surface and Volume Properties
  Accessible surface: 322.719  Positive charged surface: 155.661  Negative charged surface: 167.058  Volume: 139.875
  Hydrophobic surface: 313.006  Hydrophilic surface: 9.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.