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NCID-ZINC01604619

 MMsINC code: MMs02257046
Type: Neutral
Formula: C3H9O4P
SMILES:   P(O)(O)(=O)C(O)(C)C
InChI:   InChI=1/C3H9O4P/c1-3(2,4)8(5,6)7/h4H,1-2H3,(H2,5,6,7)

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Potential Energy
Epot(MMFF94)=-12.0981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.075 g/mol  logS: 0.57114  SlogP: -1.1777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.38816  Sterimol/B1: 2.32103  Sterimol/B2: 2.87637  Sterimol/B3: 3.60387
  Sterimol/B4: 4.76134  Sterimol/L: 7.88018 
 
 Surface and Volume Properties
  Accessible surface: 290.208  Positive charged surface: 164.612  Negative charged surface: 125.596  Volume: 114.75
  Hydrophobic surface: 86.0659  Hydrophilic surface: 204.1421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.