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CHEMSTAR-ZINC00242789

 MMsINC code: MMs01073986
Type: Neutral
Formula: C14H12N2O3
SMILES:   Oc1ccccc1\C=N\NC(=O)c1cc(O)ccc1
InChI:   InChI=1/C14H12N2O3/c17-12-6-3-5-10(8-12)14(19)16-15-9-11-4-1-2-7-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+

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Potential Energy
Epot(MMFF94)=86.2957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.261 g/mol  logS: -2.81425  SlogP: 1.8617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00258415  Sterimol/B1: 2.10532  Sterimol/B2: 2.25146  Sterimol/B3: 3.18262
  Sterimol/B4: 4.83546  Sterimol/L: 16.4417 
 
 Surface and Volume Properties
  Accessible surface: 494.94  Positive charged surface: 284.057  Negative charged surface: 210.883  Volume: 238.625
  Hydrophobic surface: 338.431  Hydrophilic surface: 156.509
 
 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.