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PUBCHEM-ZINC05456688

 MMsINC code: MMs03275008
Type: Neutral
Formula: C7H16ClO4P
SMILES:   ClCP(OC(C)C)(OCCCO)=O
InChI:   InChI=1/C7H16ClO4P/c1-7(2)12-13(10,6-8)11-5-3-4-9/h7,9H,3-6H2,1-2H3/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.3732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.628 g/mol  logS: -0.73581  SlogP: 1.1296  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135512  Sterimol/B1: 2.51867  Sterimol/B2: 2.95719  Sterimol/B3: 4.78643
  Sterimol/B4: 7.27991  Sterimol/L: 12.0869 
 
 Surface and Volume Properties
  Accessible surface: 446.808  Positive charged surface: 282.293  Negative charged surface: 164.515  Volume: 204.5
  Hydrophobic surface: 253.488  Hydrophilic surface: 193.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.