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PUBCHEM-ZINC06584725

 MMsINC code: MMs03809471
Type: Neutral
Formula: C8H13N2O7P
SMILES:   P(O)(O)(=O)COC(CN1C=CC(=O)NC1=O)CO
InChI:   InChI=1/C8H13N2O7P/c11-4-6(17-5-18(14,15)16)3-10-2-1-7(12)9-8(10)13/h1-2,6,11H,3-5H2,(H,9,12,13)(H2,14,15,16)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.0535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.173 g/mol  logS: 0.71686  SlogP: -2.5056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251263  Sterimol/B1: 2.44233  Sterimol/B2: 4.79914  Sterimol/B3: 5.24072
  Sterimol/B4: 5.3784  Sterimol/L: 11.5189 
 
 Surface and Volume Properties
  Accessible surface: 441.386  Positive charged surface: 262.704  Negative charged surface: 178.682  Volume: 217
  Hydrophobic surface: 150.771  Hydrophilic surface: 290.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.