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CHEMSTAR-ZINC04143974

 MMsINC code: MMs01108550
Type: Neutral
Formula: C11H12N2O3
SMILES:   O1c2cc(ccc2OC1)/C(=N\NC(=O)C)/C
InChI:   InChI=1/C11H12N2O3/c1-7(12-13-8(2)14)9-3-4-10-11(5-9)16-6-15-10/h3-5H,6H2,1-2H3,(H,13,14)/b12-7+

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Potential Energy
Epot(MMFF94)=73.8424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.228 g/mol  logS: -2.03887  SlogP: 1.2754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152377  Sterimol/B1: 2.19322  Sterimol/B2: 2.37878  Sterimol/B3: 2.64465
  Sterimol/B4: 6.19855  Sterimol/L: 14.1717 
 
 Surface and Volume Properties
  Accessible surface: 436.395  Positive charged surface: 272.52  Negative charged surface: 163.875  Volume: 205.875
  Hydrophobic surface: 311.975  Hydrophilic surface: 124.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.