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NCID-ZINC05641569

 MMsINC code: MMs02482383
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=[N+]([O-])c1ccc(N=NNC(C)(C)C)cc1
InChI:   InChI=1/C10H14N4O2/c1-10(2,3)12-13-11-8-4-6-9(7-5-8)14(15)16/h4-7H,1-3H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=60.6674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -2.92297  SlogP: 2.9816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518005  Sterimol/B1: 2.37519  Sterimol/B2: 2.8616  Sterimol/B3: 4.87404
  Sterimol/B4: 5.08336  Sterimol/L: 15.091 
 
 Surface and Volume Properties
  Accessible surface: 451.677  Positive charged surface: 232.356  Negative charged surface: 219.321  Volume: 211.625
  Hydrophobic surface: 292.714  Hydrophilic surface: 158.963
 
 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.