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OTAVA-ZINC01805857

 MMsINC code: MMs02564433
Type: Neutral
Formula: C23H19NO2
SMILES:   O1c2c(cc(cc2)C)/C(=N\c2ccc(OC)cc2)/C=C1c1ccccc1
InChI:   InChI=1/C23H19NO2/c1-16-8-13-22-20(14-16)21(24-18-9-11-19(25-2)12-10-18)15-23(26-22)17-6-4-3-5-7-17/h3-15H,1-2H3/b24-21+

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Potential Energy
Epot(MMFF94)=121.813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.41 g/mol  logS: -6.99142  SlogP: 5.55792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307994  Sterimol/B1: 2.87528  Sterimol/B2: 3.19952  Sterimol/B3: 3.40282
  Sterimol/B4: 10.0353  Sterimol/L: 16.3969 
 
 Surface and Volume Properties
  Accessible surface: 612.611  Positive charged surface: 377.323  Negative charged surface: 235.289  Volume: 343.25
  Hydrophobic surface: 591.603  Hydrophilic surface: 21.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.