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PUBCHEM-ZINC03869807

 MMsINC code: MMs03078935
Type: Ionized
Formula: C7H13O10P-2
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)CO)(=O)([O-])[O-]
InChI:   InChI=1/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/p-2/t4-,5-,6+,7-/m1/s1

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Potential Energy
Epot(MMFF94)=2.56148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.145 g/mol  logS: 1.36273  SlogP: -6.2335  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109153  Sterimol/B1: 2.04545  Sterimol/B2: 3.86975  Sterimol/B3: 4.12732
  Sterimol/B4: 4.13138  Sterimol/L: 13.3139 
 
 Surface and Volume Properties
  Accessible surface: 423.261  Positive charged surface: 215.115  Negative charged surface: 208.146  Volume: 207.625
  Hydrophobic surface: 127.478  Hydrophilic surface: 295.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03078934
PUBCHEM-ZINC03869807