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CHEMBLOCK-ZINC00041160

 MMsINC code: MMs00488076
Type: Neutral
Formula: C14H10N2O2
SMILES:   Oc1ccccc1\N=C\1/c2c(NC/1=O)cccc2
InChI:   InChI=1/C14H10N2O2/c17-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)16-14(13)18/h1-8,17H,(H,15,16,18)

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Potential Energy
Epot(MMFF94)=84.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.246 g/mol  logS: -3.5974  SlogP: 2.4651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050394  Sterimol/B1: 2.54468  Sterimol/B2: 3.07167  Sterimol/B3: 3.47096
  Sterimol/B4: 5.31756  Sterimol/L: 14.1747 
 
 Surface and Volume Properties
  Accessible surface: 443.873  Positive charged surface: 259.601  Negative charged surface: 184.272  Volume: 220.5
  Hydrophobic surface: 322.274  Hydrophilic surface: 121.599
 
 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.