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CHEMSTAR-ZINC00356449

 MMsINC code: MMs01074805
Type: Neutral
Formula: C15H15NO
SMILES:   Oc1ccc(cc1\N=C\c1ccc(cc1)C)C
InChI:   InChI=1/C15H15NO/c1-11-3-6-13(7-4-11)10-16-14-9-12(2)5-8-15(14)17/h3-10,17H,1-2H3/b16-10+

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Potential Energy
Epot(MMFF94)=61.6218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.291 g/mol  logS: -3.89551  SlogP: 3.75964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026324  Sterimol/B1: 2.75524  Sterimol/B2: 2.95119  Sterimol/B3: 4.20549
  Sterimol/B4: 4.79777  Sterimol/L: 15.1148 
 
 Surface and Volume Properties
  Accessible surface: 487.778  Positive charged surface: 295.071  Negative charged surface: 192.707  Volume: 235.375
  Hydrophobic surface: 425.65  Hydrophilic surface: 62.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.