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ACROSORGANICS-ZINC00409267

 MMsINC code: MMs00007948
Type: Neutral
Formula: C6H3Cl2FO
SMILES:   Clc1cc(F)cc(Cl)c1O
InChI:   InChI=1/C6H3Cl2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.0528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.993 g/mol  logS: -2.78649  SlogP: 2.8381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014601  Sterimol/B1: 2.14499  Sterimol/B2: 2.2368  Sterimol/B3: 3.54947
  Sterimol/B4: 5.94872  Sterimol/L: 8.74235 
 
 Surface and Volume Properties
  Accessible surface: 313.053  Positive charged surface: 95.3588  Negative charged surface: 217.694  Volume: 129.5
  Hydrophobic surface: 271.995  Hydrophilic surface: 41.058
 
 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.