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PUBCHEM-ZINC00575529

MMsINC code: MMs02708199

Type: Neutral
Formula: C15H15NO
SMILES:   Oc1cc(ccc1)\C=N\c1cc(C)c(cc1)C
InChI:   InChI=1/C15H15NO/c1-11-6-7-14(8-12(11)2)16-10-13-4-3-5-15(17)9-13/h3-10,17H,1-2H3/b16-10+

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Potential Energy
Epot(MMFF94)=57.1753 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: 0.0329295  Sterimol/B1: 2.71776  Sterimol/B2: 3.04894  Sterimol/B3: 3.33275
  Sterimol/B4: 5.12487  Sterimol/L: 15.1113 
 
 Surface and Volume Properties
  Accessible surface: 482.894  Positive charged surface: 288.579  Negative charged surface: 194.315  Volume: 238.5
  Hydrophobic surface: 416.008  Hydrophilic surface: 66.886
 
 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.