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ASINEX-ZINC00227910

 MMsINC code: MMs00094691
Type: Neutral
Formula: C11H10N2O2
SMILES:   O(C)c1ccc(cc1)C(=O)c1nc[nH]c1
InChI:   InChI=1/C11H10N2O2/c1-15-9-4-2-8(3-5-9)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=65.0941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.213 g/mol  logS: -2.26521  SlogP: 1.6493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00695951  Sterimol/B1: 2.34117  Sterimol/B2: 2.40648  Sterimol/B3: 3.09503
  Sterimol/B4: 5.78766  Sterimol/L: 13.5373 
 
 Surface and Volume Properties
  Accessible surface: 406.818  Positive charged surface: 275.77  Negative charged surface: 131.048  Volume: 191.75
  Hydrophobic surface: 299.974  Hydrophilic surface: 106.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.