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PUBCHEM-ZINC05463193

 MMsINC code: MMs03276956
Type: Neutral
Formula: C4H12O7P2
SMILES:   P(OCC)(OP(OCC)(O)=O)(O)=O
InChI:   InChI=1/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)

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Potential Energy
Epot(MMFF94)=-99.2082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.081 g/mol  logS: 0.03724  SlogP: -0.8636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580246  Sterimol/B1: 2.39777  Sterimol/B2: 2.57017  Sterimol/B3: 3.96566
  Sterimol/B4: 5.45983  Sterimol/L: 14.3831 
 
 Surface and Volume Properties
  Accessible surface: 436.739  Positive charged surface: 268.224  Negative charged surface: 168.515  Volume: 178.125
  Hydrophobic surface: 208.085  Hydrophilic surface: 228.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.