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NCID-ZINC01634748

 MMsINC code: MMs02278695
Type: Neutral
Formula: C5H6N4O2
SMILES:   O=C1NC(=O)C2NN=NC12C
InChI:   InChI=1/C5H6N4O2/c1-5-2(7-9-8-5)3(10)6-4(5)11/h2H,1H3,(H,7,8)(H,6,10,11)/t2-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=25.0086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.129 g/mol  logS: -0.51202  SlogP: -1.2595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.351427  Sterimol/B1: 2.44689  Sterimol/B2: 3.42701  Sterimol/B3: 3.95986
  Sterimol/B4: 4.06709  Sterimol/L: 8.6236 
 
 Surface and Volume Properties
  Accessible surface: 296.55  Positive charged surface: 149.914  Negative charged surface: 146.636  Volume: 122.125
  Hydrophobic surface: 99.1747  Hydrophilic surface: 197.3753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.