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NCID-ZINC01734460

 MMsINC code: MMs02356799
Type: Neutral
Formula: C10H12N4O2
SMILES:   O=[N+]([O-])c1cc(N=NN2CCCC2)ccc1
InChI:   InChI=1/C10H12N4O2/c15-14(16)10-5-3-4-9(8-10)11-12-13-6-1-2-7-13/h3-5,8H,1-2,6-7H2/b12-11+

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Potential Energy
Epot(MMFF94)=59.7039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.232 g/mol  logS: -2.5693  SlogP: 2.6893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205365  Sterimol/B1: 2.52965  Sterimol/B2: 2.77216  Sterimol/B3: 2.91349
  Sterimol/B4: 6.32854  Sterimol/L: 14.6425 
 
 Surface and Volume Properties
  Accessible surface: 445.295  Positive charged surface: 260.066  Negative charged surface: 185.229  Volume: 202.375
  Hydrophobic surface: 360.806  Hydrophilic surface: 84.489
 
 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.