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CHEMSTAR-ZINC00065705

 MMsINC code: MMs01072671
Type: Neutral
Formula: C14H12N2O3
SMILES:   Oc1cc(O)ccc1\C=N\c1ccccc1C(=O)N
InChI:   InChI=1/C14H12N2O3/c15-14(19)11-3-1-2-4-12(11)16-8-9-5-6-10(17)7-13(9)18/h1-8,17-18H,(H2,15,19)/b16-8+

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Potential Energy
Epot(MMFF94)=78.4995 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: 0.0504434  Sterimol/B1: 3.08964  Sterimol/B2: 3.27205  Sterimol/B3: 3.43299
  Sterimol/B4: 6.22595  Sterimol/L: 14.6115 
 
 Surface and Volume Properties
  Accessible surface: 471.284  Positive charged surface: 295.997  Negative charged surface: 175.288  Volume: 234.375
  Hydrophobic surface: 289.331  Hydrophilic surface: 181.953
 
 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.