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PUBCHEM-ZINC00387793

 MMsINC code: MMs02670938
Type: Neutral
Formula: C20H19NO2
SMILES:   o1nc(cc1CC(O)(\C=C\c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C20H19NO2/c1-16-14-19(23-21-16)15-20(22,18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/b13-12+/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=97.5051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.377 g/mol  logS: -4.37165  SlogP: 4.43819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109003  Sterimol/B1: 2.1153  Sterimol/B2: 3.84942  Sterimol/B3: 3.89664
  Sterimol/B4: 8.49686  Sterimol/L: 16.652 
 
 Surface and Volume Properties
  Accessible surface: 570.9  Positive charged surface: 325.337  Negative charged surface: 245.563  Volume: 307.25
  Hydrophobic surface: 524.819  Hydrophilic surface: 46.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.