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NANOSIN-ZINC03898107

 MMsINC code: MMs02203442
Type: Neutral
Formula: C12H10N4O2
SMILES:   O=[N+]([O-])c1ccc(NN=Nc2ccccc2)cc1
InChI:   InChI=1/C12H10N4O2/c17-16(18)12-8-6-11(7-9-12)14-15-13-10-4-2-1-3-5-10/h1-9H,(H,13,14)

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Potential Energy
Epot(MMFF94)=67.0125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.238 g/mol  logS: -3.7652  SlogP: 3.7056  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.75545e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10455  Sterimol/B3: 3.19893
  Sterimol/B4: 5.09259  Sterimol/L: 16.1781 
 
 Surface and Volume Properties
  Accessible surface: 468.505  Positive charged surface: 199.003  Negative charged surface: 269.502  Volume: 220.25
  Hydrophobic surface: 360.624  Hydrophilic surface: 107.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.