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NCID-ZINC05190926

 MMsINC code: MMs02447397
Type: Neutral
Formula: C2H7O4P
SMILES:   P(O)(O)(=O)COC
InChI:   InChI=1/C2H7O4P/c1-6-2-7(3,4)5/h2H2,1H3,(H2,3,4,5)

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Potential Energy
Epot(MMFF94)=-12.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.048 g/mol  logS: 1.23084  SlogP: -1.3022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180004  Sterimol/B1: 2.8727  Sterimol/B2: 3.07641  Sterimol/B3: 3.50219
  Sterimol/B4: 3.88922  Sterimol/L: 8.98558 
 
 Surface and Volume Properties
  Accessible surface: 270.672  Positive charged surface: 181.492  Negative charged surface: 89.1802  Volume: 99.25
  Hydrophobic surface: 124.837  Hydrophilic surface: 145.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.