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ASINEX-ZINC04674571

 MMsINC code: MMs00359137
Type: Neutral
Formula: C11H13N3O2
SMILES:   O=[N+]([O-])c1ccccc1NN=C1CCCC1
InChI:   InChI=1/C11H13N3O2/c15-14(16)11-8-4-3-7-10(11)13-12-9-5-1-2-6-9/h3-4,7-8,13H,1-2,5-6H2

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Potential Energy
Epot(MMFF94)=69.6429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.244 g/mol  logS: -2.64426  SlogP: 2.9367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277234  Sterimol/B1: 2.52519  Sterimol/B2: 2.76546  Sterimol/B3: 2.96225
  Sterimol/B4: 6.75006  Sterimol/L: 13.4962 
 
 Surface and Volume Properties
  Accessible surface: 436.752  Positive charged surface: 251.985  Negative charged surface: 184.767  Volume: 208.125
  Hydrophobic surface: 346.397  Hydrophilic surface: 90.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.