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PUBCHEM-ZINC03608235

 MMsINC code: MMs03020875
Type: Neutral
Formula: C7H14Cl3O4P
SMILES:   ClC(Cl)(Cl)CCCCOP(OC)(OC)=O
InChI:   InChI=1/C7H14Cl3O4P/c1-12-15(11,13-2)14-6-4-3-5-7(8,9)10/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.66544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.518 g/mol  logS: -2.87901  SlogP: 3.2941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573489  Sterimol/B1: 2.23277  Sterimol/B2: 2.69314  Sterimol/B3: 3.85495
  Sterimol/B4: 5.65854  Sterimol/L: 15.6087 
 
 Surface and Volume Properties
  Accessible surface: 496.67  Positive charged surface: 258.965  Negative charged surface: 237.706  Volume: 234.25
  Hydrophobic surface: 264.596  Hydrophilic surface: 232.074
 
 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.