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NCID-ZINC01599565

 MMsINC code: MMs02252828
Type: Neutral
Formula: C14H8Cl4O2
SMILES:   Clc1cc(Cl)cc(\C=C\c2cc(Cl)cc(Cl)c2O)c1O
InChI:   InChI=1/C14H8Cl4O2/c15-9-3-7(13(19)11(17)5-9)1-2-8-4-10(16)6-12(18)14(8)20/h1-6,19-20H/b2-1+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.6529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.028 g/mol  logS: -5.84542  SlogP: 5.8818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00367166  Sterimol/B1: 2.19369  Sterimol/B2: 2.27988  Sterimol/B3: 4.02855
  Sterimol/B4: 6.44069  Sterimol/L: 14.9286 
 
 Surface and Volume Properties
  Accessible surface: 532.753  Positive charged surface: 152.697  Negative charged surface: 380.056  Volume: 274.125
  Hydrophobic surface: 452.988  Hydrophilic surface: 79.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.