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PUBCHEM-ZINC05606471

 MMsINC code: MMs03322986
Type: Neutral
Formula: C4H12O6P2S
SMILES:   S=P(OC)(OC)OP(OC)(OC)=O
InChI:   InChI=1/C4H12O6P2S/c1-6-11(5,7-2)10-12(13,8-3)9-4/h1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-29.3561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.148 g/mol  logS: -1.25198  SlogP: 0.851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170778  Sterimol/B1: 2.0277  Sterimol/B2: 3.11634  Sterimol/B3: 5.18605
  Sterimol/B4: 5.62294  Sterimol/L: 11.8127 
 
 Surface and Volume Properties
  Accessible surface: 420.192  Positive charged surface: 310.799  Negative charged surface: 109.394  Volume: 196
  Hydrophobic surface: 306.412  Hydrophilic surface: 113.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.