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PUBCHEM-ZINC03645447

 MMsINC code: MMs03032653
Type: Neutral
Formula: C4H7O6P
SMILES:   P(OC1(CC1)C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H7O6P/c5-3(6)4(1-2-4)10-11(7,8)9/h1-2H2,(H,5,6)(H2,7,8,9)

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Potential Energy
Epot(MMFF94)=-31.5437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.068 g/mol  logS: 0.2762  SlogP: -1.3573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187011  Sterimol/B1: 2.1394  Sterimol/B2: 2.867  Sterimol/B3: 4.25249
  Sterimol/B4: 4.61272  Sterimol/L: 9.31165 
 
 Surface and Volume Properties
  Accessible surface: 327.587  Positive charged surface: 183.053  Negative charged surface: 144.534  Volume: 132.375
  Hydrophobic surface: 77.704  Hydrophilic surface: 249.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03032654
PUBCHEM-ZINC03645447