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NANOSIN-ZINC01510360

 MMsINC code: MMs02196577
Type: Neutral
Formula: C11H10N4O2
SMILES:   O=[N+]([O-])c1ccccc1\C=N\c1c[nH]nc1C
InChI:   InChI=1/C11H10N4O2/c1-8-10(7-13-14-8)12-6-9-4-2-3-5-11(9)15(16)17/h2-7H,1H3,(H,13,14)/b12-6+

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Potential Energy
Epot(MMFF94)=75.2751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.227 g/mol  logS: -2.84928  SlogP: 2.37692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00713806  Sterimol/B1: 2.02325  Sterimol/B2: 2.49319  Sterimol/B3: 2.55721
  Sterimol/B4: 6.75304  Sterimol/L: 12.8361 
 
 Surface and Volume Properties
  Accessible surface: 430.854  Positive charged surface: 223.279  Negative charged surface: 207.575  Volume: 208.25
  Hydrophobic surface: 261.966  Hydrophilic surface: 168.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.