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PUBCHEM-ZINC05998659

 MMsINC code: MMs03482676
Type: Neutral
Formula: C13H7Cl5O
SMILES:   Clc1c(ccc(Cl)c1OC)-c1cc(Cl)c(Cl)c(Cl)c1
InChI:   InChI=1/C13H7Cl5O/c1-19-13-8(14)3-2-7(11(13)17)6-4-9(15)12(18)10(16)5-6/h2-5H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.5833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.463 g/mol  logS: -7.53309  SlogP: 6.6292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097062  Sterimol/B1: 2.9434  Sterimol/B2: 3.27491  Sterimol/B3: 4.60349
  Sterimol/B4: 6.14719  Sterimol/L: 14.249 
 
 Surface and Volume Properties
  Accessible surface: 507.205  Positive charged surface: 162.955  Negative charged surface: 340.698  Volume: 269.375
  Hydrophobic surface: 498.508  Hydrophilic surface: 8.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.