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CHEMSTAR-ZINC00292494

 MMsINC code: MMs01074486
Type: Neutral
Formula: C14H12N2O3
SMILES:   Oc1c(cccc1O)\C=N\c1ccc(cc1)C(=O)N
InChI:   InChI=1/C14H12N2O3/c15-14(19)9-4-6-11(7-5-9)16-8-10-2-1-3-12(17)13(10)18/h1-8,17-18H,(H2,15,19)/b16-8+

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Potential Energy
Epot(MMFF94)=72.3047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.261 g/mol  logS: -2.83784  SlogP: 1.9473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183398  Sterimol/B1: 2.182  Sterimol/B2: 2.42668  Sterimol/B3: 3.14504
  Sterimol/B4: 5.4201  Sterimol/L: 16.0409 
 
 Surface and Volume Properties
  Accessible surface: 479.284  Positive charged surface: 283.914  Negative charged surface: 195.371  Volume: 237.375
  Hydrophobic surface: 278.318  Hydrophilic surface: 200.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.