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PUBCHEM-ZINC02527799

 MMsINC code: MMs02893828
Type: Neutral
Formula: C6H3Cl2FO
SMILES:   Clc1c(O)c(F)ccc1Cl
InChI:   InChI=1/C6H3Cl2FO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.509 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: 0.0147126  Sterimol/B1: 2.14628  Sterimol/B2: 2.24165  Sterimol/B3: 2.48297
  Sterimol/B4: 6.21448  Sterimol/L: 8.44442 
 
 Surface and Volume Properties
  Accessible surface: 307.889  Positive charged surface: 102.176  Negative charged surface: 205.713  Volume: 131.125
  Hydrophobic surface: 262.555  Hydrophilic surface: 45.334
 
 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.