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ASINEX-ZINC00274693

 MMsINC code: MMs00105606
Type: Neutral
Formula: C16H10N4O2
SMILES:   O=[N+]([O-])c1ccc(-n2nc3c4c(ccc3n2)cccc4)cc1
InChI:   InChI=1/C16H10N4O2/c21-20(22)13-8-6-12(7-9-13)19-17-15-10-5-11-3-1-2-4-14(11)16(15)18-19/h1-10H

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Potential Energy
Epot(MMFF94)=104.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.282 g/mol  logS: -5.54264  SlogP: 3.4819  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.90995e-07  Sterimol/B1: 2.09979  Sterimol/B2: 2.10063  Sterimol/B3: 3.46661
  Sterimol/B4: 6.2083  Sterimol/L: 16.7778 
 
 Surface and Volume Properties
  Accessible surface: 501.263  Positive charged surface: 211.407  Negative charged surface: 278.785  Volume: 258.875
  Hydrophobic surface: 380.342  Hydrophilic surface: 120.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.