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ASINEX-ZINC03985290

 MMsINC code: MMs00295086
Type: Neutral
Formula: C5H5N5O
SMILES:   O(C)c1n[nH]c2nncnc12
InChI:   InChI=1/C5H5N5O/c1-11-5-3-4(9-10-5)8-7-2-6-3/h2H,1H3,(H,8,9,10)

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Potential Energy
Epot(MMFF94)=46.0711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.129 g/mol  logS: -1.18566  SlogP: -0.2435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174032  Sterimol/B1: 2.37418  Sterimol/B2: 2.37495  Sterimol/B3: 3.05432
  Sterimol/B4: 4.71499  Sterimol/L: 10.4334 
 
 Surface and Volume Properties
  Accessible surface: 314.186  Positive charged surface: 225.329  Negative charged surface: 88.8562  Volume: 126.5
  Hydrophobic surface: 130.577  Hydrophilic surface: 183.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.