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PUBCHEM-ZINC05044127

 MMsINC code: MMs03192515
Type: Neutral
Formula: C17H15NO2
SMILES:   o1nc(cc1-c1ccc(cc1O)C)-c1ccccc1C
InChI:   InChI=1/C17H15NO2/c1-11-7-8-14(16(19)9-11)17-10-15(18-20-17)13-6-4-3-5-12(13)2/h3-10,19H,1-2H3

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Potential Energy
Epot(MMFF94)=92.9038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.312 g/mol  logS: -5.40748  SlogP: 4.33104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269727  Sterimol/B1: 2.90896  Sterimol/B2: 3.04646  Sterimol/B3: 4.07129
  Sterimol/B4: 4.72565  Sterimol/L: 16.3409 
 
 Surface and Volume Properties
  Accessible surface: 508.435  Positive charged surface: 289.615  Negative charged surface: 218.82  Volume: 262.375
  Hydrophobic surface: 449.02  Hydrophilic surface: 59.415
 
 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.