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NCID-ZINC01628207

 MMsINC code: MMs02274043
Type: Neutral
Formula: C10H4Cl4O
SMILES:   ClC=1C(=Cc2occc2)C(Cl)=C(Cl)C=1Cl
InChI:   InChI=1/C10H4Cl4O/c11-7-6(4-5-2-1-3-15-5)8(12)10(14)9(7)13/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.953 g/mol  logS: -6.10922  SlogP: 5.4906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267828  Sterimol/B1: 2.39055  Sterimol/B2: 2.78084  Sterimol/B3: 4.76159
  Sterimol/B4: 4.76574  Sterimol/L: 13.0751 
 
 Surface and Volume Properties
  Accessible surface: 416.875  Positive charged surface: 109.335  Negative charged surface: 302.544  Volume: 210.75
  Hydrophobic surface: 412.515  Hydrophilic surface: 4.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.