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PUBCHEM-ZINC03165652

 MMsINC code: MMs03004183
Type: Neutral
Formula: C6H11O6P
SMILES:   P(O)(=O)(CCC(O)=O)CCC(O)=O
InChI:   InChI=1/C6H11O6P/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=-14.6816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.122 g/mol  logS: 1.23284  SlogP: -0.864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567654  Sterimol/B1: 3.12828  Sterimol/B2: 3.22753  Sterimol/B3: 3.33219
  Sterimol/B4: 3.71588  Sterimol/L: 14.4956 
 
 Surface and Volume Properties
  Accessible surface: 393.163  Positive charged surface: 233.881  Negative charged surface: 159.282  Volume: 168.875
  Hydrophobic surface: 126.848  Hydrophilic surface: 266.315
 
 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


MMs03004184
PUBCHEM-ZINC03165652