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PUBCHEM-ZINC05134662

 MMsINC code: MMs03209652
Type: Neutral
Formula: C6H13O6P
SMILES:   P(OC1CCCC(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H13O6P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-40.5472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.138 g/mol  logS: 0.47535  SlogP: -1.7002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187794  Sterimol/B1: 2.39537  Sterimol/B2: 3.2687  Sterimol/B3: 3.80634
  Sterimol/B4: 4.88721  Sterimol/L: 11.465 
 
 Surface and Volume Properties
  Accessible surface: 374.462  Positive charged surface: 243.048  Negative charged surface: 131.414  Volume: 168.125
  Hydrophobic surface: 148.741  Hydrophilic surface: 225.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03209653
PUBCHEM-ZINC05134662