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NCID-ZINC05956545

 MMsINC code: MMs02513547
Type: Neutral
Formula: C4H4N4O2
SMILES:   O=C1NC(=O)NCC1=[N+]=[N-]
InChI:   InChI=1/C4H4N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H2,(H2,6,7,9,10)

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Potential Energy
Epot(MMFF94)=-25.5978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.102 g/mol  logS: -0.6933  SlogP: -1.5034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394005  Sterimol/B1: 2.0591  Sterimol/B2: 2.36603  Sterimol/B3: 2.36607
  Sterimol/B4: 5.30426  Sterimol/L: 10.0809 
 
 Surface and Volume Properties
  Accessible surface: 281.016  Positive charged surface: 139.013  Negative charged surface: 142.003  Volume: 109
  Hydrophobic surface: 48.4416  Hydrophilic surface: 232.5744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.