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PUBCHEM-ZINC05357329

 MMsINC code: MMs03247454
Type: Neutral
Formula: C3H10O6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)(C)C
InChI:   InChI=1/C3H10O6P2/c1-3(2,10(4,5)6)11(7,8)9/h1-2H3,(H2,4,5,6)(H2,7,8,9)

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Potential Energy
Epot(MMFF94)=-94.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.055 g/mol  logS: 1.03812  SlogP: -2.0625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.47617  Sterimol/B1: 2.11523  Sterimol/B2: 2.35859  Sterimol/B3: 4.69011
  Sterimol/B4: 4.80519  Sterimol/L: 9.67467 
 
 Surface and Volume Properties
  Accessible surface: 332.995  Positive charged surface: 177.7  Negative charged surface: 155.295  Volume: 147.25
  Hydrophobic surface: 72.0207  Hydrophilic surface: 260.9743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.