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ENAMINE-ZINC06078853

 MMsINC code: MMs01652887
Type: Neutral
Formula: C17H15NO2
SMILES:   o1nc(cc1-c1ccccc1OC)-c1ccc(cc1)C
InChI:   InChI=1/C17H15NO2/c1-12-7-9-13(10-8-12)15-11-17(20-18-15)14-5-3-4-6-16(14)19-2/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=85.1645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.312 g/mol  logS: -5.34589  SlogP: 4.32562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322232  Sterimol/B1: 2.69784  Sterimol/B2: 3.62321  Sterimol/B3: 4.73439
  Sterimol/B4: 5.11141  Sterimol/L: 16.2985 
 
 Surface and Volume Properties
  Accessible surface: 519.702  Positive charged surface: 312.172  Negative charged surface: 207.53  Volume: 264.375
  Hydrophobic surface: 487.678  Hydrophilic surface: 32.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.