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CHEMBRIDGE-ZINC00436295

 MMsINC code: MMs00614449
Type: Neutral
Formula: C15H15NO2
SMILES:   Oc1c(cccc1\C=N\c1ccc(cc1O)C)C
InChI:   InChI=1/C15H15NO2/c1-10-6-7-13(14(17)8-10)16-9-12-5-3-4-11(2)15(12)18/h3-9,17-18H,1-2H3/b16-9+

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Potential Energy
Epot(MMFF94)=74.6738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.29 g/mol  logS: -3.22011  SlogP: 3.46524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460388  Sterimol/B1: 2.66728  Sterimol/B2: 3.74747  Sterimol/B3: 3.99627
  Sterimol/B4: 4.23181  Sterimol/L: 15.1046 
 
 Surface and Volume Properties
  Accessible surface: 486.56  Positive charged surface: 311.806  Negative charged surface: 174.754  Volume: 242.625
  Hydrophobic surface: 400.339  Hydrophilic surface: 86.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.