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CHEMBLOCK-ZINC00441909

 MMsINC code: MMs00504601
Type: Neutral
Formula: C16H13NO2
SMILES:   o1nc(cc1-c1ccc(cc1O)C)-c1ccccc1
InChI:   InChI=1/C16H13NO2/c1-11-7-8-13(15(18)9-11)16-10-14(17-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3

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Potential Energy
Epot(MMFF94)=74.6972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.285 g/mol  logS: -4.93356  SlogP: 4.02262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225933  Sterimol/B1: 2.66897  Sterimol/B2: 2.94067  Sterimol/B3: 3.29732
  Sterimol/B4: 5.02217  Sterimol/L: 16.4445 
 
 Surface and Volume Properties
  Accessible surface: 488.566  Positive charged surface: 263.88  Negative charged surface: 224.687  Volume: 245.25
  Hydrophobic surface: 417.755  Hydrophilic surface: 70.811
 
 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.