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PUBCHEM-ZINC05998381

 MMsINC code: MMs03482423
Type: Neutral
Formula: C3H10O7P2
SMILES:   P(OC)(OC)(OP(OC)(O)=O)=O
InChI:   InChI=1/C3H10O7P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-3H3,(H,4,5)

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Potential Energy
Epot(MMFF94)=-67.7407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.054 g/mol  logS: 0.34648  SlogP: -0.9897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703946  Sterimol/B1: 2.40327  Sterimol/B2: 3.07079  Sterimol/B3: 3.93414
  Sterimol/B4: 5.02168  Sterimol/L: 11.8441 
 
 Surface and Volume Properties
  Accessible surface: 386.824  Positive charged surface: 273.044  Negative charged surface: 113.78  Volume: 162.625
  Hydrophobic surface: 245.914  Hydrophilic surface: 140.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.