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PUBCHEM-ZINC05889950

 MMsINC code: MMs03431202
Type: Neutral
Formula: C19H18N2OS
SMILES:   S(C)C=1NC(=O)C(Cc2ccccc2)=C(N=1)Cc1ccccc1
InChI:   InChI=1/C19H18N2OS/c1-23-19-20-17(13-15-10-6-3-7-11-15)16(18(22)21-19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,21,22)

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Potential Energy
Epot(MMFF94)=50.3064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.432 g/mol  logS: -5.68157  SlogP: 3.57464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185921  Sterimol/B1: 2.66846  Sterimol/B2: 3.41451  Sterimol/B3: 5.27507
  Sterimol/B4: 9.23717  Sterimol/L: 14.0827 
 
 Surface and Volume Properties
  Accessible surface: 556.04  Positive charged surface: 300.177  Negative charged surface: 255.862  Volume: 314.375
  Hydrophobic surface: 440.084  Hydrophilic surface: 115.956
 
 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.