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ASINEX-ZINC06678094

 MMsINC code: MMs00442483
Type: Ionized
Formula: C10H7N2O2-
SMILES:   O=C([O-])c1nc2c(nc1C)cccc2
InChI:   InChI=1/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=73.7313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.178 g/mol  logS: -1.38024  SlogP: 0.30172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019439  Sterimol/B1: 2.48195  Sterimol/B2: 2.63563  Sterimol/B3: 2.67953
  Sterimol/B4: 5.81507  Sterimol/L: 11.2125 
 
 Surface and Volume Properties
  Accessible surface: 366.581  Positive charged surface: 186.411  Negative charged surface: 180.169  Volume: 169.5
  Hydrophobic surface: 247.648  Hydrophilic surface: 118.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00442482
ASINEX-ZINC06678094