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PUBCHEM-ZINC02047558

 MMsINC code: MMs02865442
Type: Neutral
Formula: C8H13N2O6P
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)

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Potential Energy
Epot(MMFF94)=-37.2792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.174 g/mol  logS: 0.56006  SlogP: -0.75798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875841  Sterimol/B1: 3.15925  Sterimol/B2: 3.46893  Sterimol/B3: 4.47776
  Sterimol/B4: 5.21018  Sterimol/L: 12.851 
 
 Surface and Volume Properties
  Accessible surface: 443.221  Positive charged surface: 281.906  Negative charged surface: 161.315  Volume: 208.25
  Hydrophobic surface: 139.977  Hydrophilic surface: 303.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02865443
PUBCHEM-ZINC02047558