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PUBCHEM-ZINC03869806

 MMsINC code: MMs03078933
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+/m0/s1

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Potential Energy
Epot(MMFF94)=1.78853 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: 0.0538544  Sterimol/B1: 3.06818  Sterimol/B2: 3.11459  Sterimol/B3: 3.12967
  Sterimol/B4: 4.64027  Sterimol/L: 14.7593 
 
 Surface and Volume Properties
  Accessible surface: 430.834  Positive charged surface: 221.453  Negative charged surface: 209.381  Volume: 207.5
  Hydrophobic surface: 136.789  Hydrophilic surface: 294.045
 
 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:


MMs03078932
PUBCHEM-ZINC03869806