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PUBCHEM-ZINC05411420

 MMsINC code: MMs03260464
Type: Ionized
Formula: C6H9O8P-2
SMILES:   P(OCC1OC(C=O)C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H11O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h1,3-6,8-9H,2H2,(H2,10,11,12)/p-2/t3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=5.13887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.104 g/mol  logS: 0.76243  SlogP: -4.5504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106198  Sterimol/B1: 2.57135  Sterimol/B2: 3.18934  Sterimol/B3: 3.22174
  Sterimol/B4: 5.37221  Sterimol/L: 12.2777 
 
 Surface and Volume Properties
  Accessible surface: 372.313  Positive charged surface: 184.13  Negative charged surface: 188.182  Volume: 170.75
  Hydrophobic surface: 116.053  Hydrophilic surface: 256.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1
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Parent related molecule:


MMs03260463
PUBCHEM-ZINC05411420