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PUBCHEM-ZINC05998026

 MMsINC code: MMs03482056
Type: Neutral
Formula: C8H9Cl2O4P
SMILES:   Clc1cc(OP(OC)(OC)=O)ccc1Cl
InChI:   InChI=1/C8H9Cl2O4P/c1-12-15(11,13-2)14-6-3-4-7(9)8(10)5-6/h3-5H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.7917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.036 g/mol  logS: -3.0366  SlogP: 2.7029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451627  Sterimol/B1: 2.45813  Sterimol/B2: 2.78301  Sterimol/B3: 3.05361
  Sterimol/B4: 6.11751  Sterimol/L: 13.615 
 
 Surface and Volume Properties
  Accessible surface: 429.148  Positive charged surface: 211.335  Negative charged surface: 217.813  Volume: 209.375
  Hydrophobic surface: 370.793  Hydrophilic surface: 58.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.