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PUBCHEM-ZINC01529644

 MMsINC code: MMs02812969
Type: Neutral
Formula: C4H9O7P
SMILES:   P(OCC(=O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3,5-6H,1-2H2,(H2,8,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-43.8584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.083 g/mol  logS: 0.89815  SlogP: -3.0522  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0886926  Sterimol/B1: 2.73387  Sterimol/B2: 2.96446  Sterimol/B3: 3.34997
  Sterimol/B4: 4.15584  Sterimol/L: 12.0636 
 
 Surface and Volume Properties
  Accessible surface: 371.885  Positive charged surface: 213.833  Negative charged surface: 158.052  Volume: 146.25
  Hydrophobic surface: 81.2919  Hydrophilic surface: 290.5931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02812970
PUBCHEM-ZINC01529644