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PUBCHEM-ZINC02521634

 MMsINC code: MMs02892845
Type: Neutral
Formula: C12H5Cl5O
SMILES:   Clc1c(cc(Cl)c(Cl)c1Cl)-c1cc(Cl)ccc1O
InChI:   InChI=1/C12H5Cl5O/c13-5-1-2-9(18)6(3-5)7-4-8(14)11(16)12(17)10(7)15/h1-4,18H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -7.12076  SlogP: 6.3262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105096  Sterimol/B1: 3.42939  Sterimol/B2: 3.5582  Sterimol/B3: 4.32153
  Sterimol/B4: 4.3539  Sterimol/L: 13.371 
 
 Surface and Volume Properties
  Accessible surface: 472.438  Positive charged surface: 116.62  Negative charged surface: 354.49  Volume: 251.125
  Hydrophobic surface: 440.072  Hydrophilic surface: 32.366
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.