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NCID-ZINC00393669

 MMsINC code: MMs02214965
Type: Neutral
Formula: C8H7Cl3O
SMILES:   Clc1c(C)c(Cl)c(O)c(Cl)c1C
InChI:   InChI=1/C8H7Cl3O/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.502 g/mol  logS: -3.54674  SlogP: 3.96924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458104  Sterimol/B1: 2.50013  Sterimol/B2: 2.52552  Sterimol/B3: 3.71272
  Sterimol/B4: 5.96499  Sterimol/L: 9.49979 
 
 Surface and Volume Properties
  Accessible surface: 365.132  Positive charged surface: 139.861  Negative charged surface: 225.271  Volume: 175.875
  Hydrophobic surface: 325.028  Hydrophilic surface: 40.104
 
 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.