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ALFAAESAR-ZINC02381671

 MMsINC code: MMs00022932
Type: Neutral
Formula: C6H3ClF2O
SMILES:   Clc1ccc(F)c(O)c1F
InChI:   InChI=1/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.2635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.538 g/mol  logS: -2.34718  SlogP: 2.3238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146615  Sterimol/B1: 2.14363  Sterimol/B2: 2.24821  Sterimol/B3: 2.51386
  Sterimol/B4: 5.66235  Sterimol/L: 8.6061 
 
 Surface and Volume Properties
  Accessible surface: 295.166  Positive charged surface: 109.657  Negative charged surface: 185.509  Volume: 120
  Hydrophobic surface: 245.726  Hydrophilic surface: 49.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.