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PUBCHEM-ZINC05821550

 MMsINC code: MMs03400582
Type: Neutral
Formula: C5H14O7P2
SMILES:   P(OCCCC)(OC)(OP(O)(O)=O)=O
InChI:   InChI=1/C5H14O7P2/c1-3-4-5-11-14(9,10-2)12-13(6,7)8/h3-5H2,1-2H3,(H2,6,7,8)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=-103.748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.108 g/mol  logS: -0.35254  SlogP: -0.4735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695639  Sterimol/B1: 2.74204  Sterimol/B2: 3.67845  Sterimol/B3: 4.32737
  Sterimol/B4: 5.59765  Sterimol/L: 14.4734 
 
 Surface and Volume Properties
  Accessible surface: 451.715  Positive charged surface: 290.269  Negative charged surface: 161.446  Volume: 195.375
  Hydrophobic surface: 234.57  Hydrophilic surface: 217.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: no related molecules available.