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PUBCHEM-ZINC02178963

 MMsINC code: MMs02881788
Type: Neutral
Formula: C7H7Cl2O3P
SMILES:   Clc1cccc(Cl)c1CP(O)(O)=O
InChI:   InChI=1/C7H7Cl2O3P/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.7667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.01 g/mol  logS: -2.1575  SlogP: 1.8673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114335  Sterimol/B1: 2.87312  Sterimol/B2: 3.47697  Sterimol/B3: 4.49761
  Sterimol/B4: 4.9701  Sterimol/L: 11.14 
 
 Surface and Volume Properties
  Accessible surface: 373.265  Positive charged surface: 140.061  Negative charged surface: 233.204  Volume: 179.75
  Hydrophobic surface: 255.937  Hydrophilic surface: 117.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.