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PUBCHEM-ZINC05117701

 MMsINC code: MMs03205267
Type: Neutral
Formula: C5H5N5O
SMILES:   On1c2c(nc1)ncnc2N
InChI:   InChI=1/C5H5N5O/c6-4-3-5(8-1-7-4)9-2-10(3)11/h1-2,11H,(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-9.62301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.129 g/mol  logS: -1.11854  SlogP: -0.3542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108259  Sterimol/B1: 2.097  Sterimol/B2: 2.25944  Sterimol/B3: 3.0792
  Sterimol/B4: 5.032  Sterimol/L: 9.4328 
 
 Surface and Volume Properties
  Accessible surface: 296.846  Positive charged surface: 207.898  Negative charged surface: 88.9485  Volume: 123.625
  Hydrophobic surface: 82.9896  Hydrophilic surface: 213.8564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.