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PUBCHEM-ZINC05701243

 MMsINC code: MMs03353392
Type: Neutral
Formula: C4H11ClO7P2
SMILES:   ClCOP(OC)(OP(OC)(OC)=O)=O
InChI:   InChI=1/C4H11ClO7P2/c1-8-13(6,9-2)12-14(7,10-3)11-4-5/h4H2,1-3H3/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-51.6177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.526 g/mol  logS: -0.46948  SlogP: 0.2309  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0772856  Sterimol/B1: 2.33061  Sterimol/B2: 3.47288  Sterimol/B3: 3.79442
  Sterimol/B4: 7.00298  Sterimol/L: 12.459 
 
 Surface and Volume Properties
  Accessible surface: 449.159  Positive charged surface: 278.185  Negative charged surface: 170.974  Volume: 197.25
  Hydrophobic surface: 267.467  Hydrophilic surface: 181.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.