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PUBCHEM-ZINC05828783

 MMsINC code: MMs03404194
Type: Neutral
Formula: C7H15O7P
SMILES:   P(O)(O)(=O)\C=C\C(O)C(O)C(O)CCO
InChI:   InChI=1/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=-6.60487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.164 g/mol  logS: 1.4148  SlogP: -2.9273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.079712  Sterimol/B1: 2.79773  Sterimol/B2: 3.34655  Sterimol/B3: 3.41041
  Sterimol/B4: 4.03263  Sterimol/L: 14.9302 
 
 Surface and Volume Properties
  Accessible surface: 441.705  Positive charged surface: 273.474  Negative charged surface: 168.23  Volume: 202.75
  Hydrophobic surface: 127.646  Hydrophilic surface: 314.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.