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PUBCHEM-ZINC06494205

 MMsINC code: MMs03767080
Type: Neutral
Formula: C5H13O7P
SMILES:   P(OCC(O)C(O)C(O)C)(O)(O)=O
InChI:   InChI=1/C5H13O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-27.5323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.126 g/mol  logS: 1.10483  SlogP: -2.8719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091392  Sterimol/B1: 3.032  Sterimol/B2: 3.09648  Sterimol/B3: 3.3393
  Sterimol/B4: 3.68214  Sterimol/L: 13.309 
 
 Surface and Volume Properties
  Accessible surface: 393.954  Positive charged surface: 249.627  Negative charged surface: 144.327  Volume: 168.875
  Hydrophobic surface: 125.298  Hydrophilic surface: 268.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03767081
PUBCHEM-ZINC06494205