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PUBCHEM-ZINC06584717

 MMsINC code: MMs03809466
Type: Neutral
Formula: C7H11N2O6P
SMILES:   P(O)(O)(=O)COCCN1C=CC(=O)NC1=O
InChI:   InChI=1/C7H11N2O6P/c10-6-1-2-9(7(11)8-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H,8,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-24.7203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.147 g/mol  logS: 0.51432  SlogP: -1.8665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228739  Sterimol/B1: 2.41111  Sterimol/B2: 3.4356  Sterimol/B3: 4.94208
  Sterimol/B4: 5.10143  Sterimol/L: 11.5116 
 
 Surface and Volume Properties
  Accessible surface: 411.198  Positive charged surface: 257.815  Negative charged surface: 153.383  Volume: 194.625
  Hydrophobic surface: 179.403  Hydrophilic surface: 231.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.