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PUBCHEM-ZINC02047558

 MMsINC code: MMs02865443
Type: Ionized
Formula: C8H11N2O6P-2
SMILES:   P(OCc1c(CO)c(O)c(nc1N)C)(=O)([O-])[O-]
InChI:   InChI=1/C8H13N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h11-12H,2-3H2,1H3,(H2,9,10)(H2,13,14,15)/p-2

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Potential Energy
Epot(MMFF94)=-10.441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.158 g/mol  logS: 0.41702  SlogP: -2.02198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577622  Sterimol/B1: 3.0203  Sterimol/B2: 3.48553  Sterimol/B3: 4.96058
  Sterimol/B4: 5.10678  Sterimol/L: 12.342 
 
 Surface and Volume Properties
  Accessible surface: 417.449  Positive charged surface: 227.667  Negative charged surface: 189.782  Volume: 203
  Hydrophobic surface: 143.135  Hydrophilic surface: 274.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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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MMs02865442
PUBCHEM-ZINC02047558