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PUBCHEM-ZINC03872919

 MMsINC code: MMs03081595
Type: Neutral
Formula: C7H13O7P
SMILES:   P1(OC2C(C1)C(O)C(O)C(O)C2O)(O)=O
InChI:   InChI=1/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3-,4+,5+,6+,7-/m1/s1

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Potential Energy
Epot(MMFF94)=43.5665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.148 g/mol  logS: 1.16995  SlogP: -3.4262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302939  Sterimol/B1: 2.83414  Sterimol/B2: 3.53349  Sterimol/B3: 4.53764
  Sterimol/B4: 5.67495  Sterimol/L: 10.4738 
 
 Surface and Volume Properties
  Accessible surface: 380.978  Positive charged surface: 255.908  Negative charged surface: 125.07  Volume: 181.625
  Hydrophobic surface: 122.076  Hydrophilic surface: 258.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.