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PUBCHEM-ZINC05513203

 MMsINC code: MMs03293107
Type: Neutral
Formula: C11H14N4O2
SMILES:   O=[N+]([O-])c1ccc(N=NN2CCCCC2)cc1
InChI:   InChI=1/C11H14N4O2/c16-15(17)11-6-4-10(5-7-11)12-13-14-8-2-1-3-9-14/h4-7H,1-3,8-9H2/b13-12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.259 g/mol  logS: -2.77107  SlogP: 3.0794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318802  Sterimol/B1: 2.49364  Sterimol/B2: 2.93473  Sterimol/B3: 3.09565
  Sterimol/B4: 5.19492  Sterimol/L: 15.2351 
 
 Surface and Volume Properties
  Accessible surface: 463.761  Positive charged surface: 278.341  Negative charged surface: 185.421  Volume: 220
  Hydrophobic surface: 379.976  Hydrophilic surface: 83.785
 
 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.