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MAYBRIDGE-ZINC04363312

 MMsINC code: MMs02171090
Type: Neutral
Formula: C5H7N5O
SMILES:   O\N=C(\N)/c1cncnc1N
InChI:   InChI=1/C5H7N5O/c6-4-3(5(7)10-11)1-8-2-9-4/h1-2,11H,(H2,7,10)(H2,6,8,9)

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Potential Energy
Epot(MMFF94)=28.9541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.145 g/mol  logS: -0.38722  SlogP: -0.8467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00126985  Sterimol/B1: 2.097  Sterimol/B2: 2.16495  Sterimol/B3: 2.47184
  Sterimol/B4: 5.72082  Sterimol/L: 10.6415 
 
 Surface and Volume Properties
  Accessible surface: 313.483  Positive charged surface: 234.385  Negative charged surface: 79.0982  Volume: 131
  Hydrophobic surface: 62.3394  Hydrophilic surface: 251.1436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.