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CHEMBRIDGE-ZINC00122042

 MMsINC code: MMs00589577
Type: Neutral
Formula: C19H18N2OS
SMILES:   S(Cc1ccccc1)C=1NC(=O)C(Cc2ccccc2)=C(N=1)C
InChI:   InChI=1/C19H18N2OS/c1-14-17(12-15-8-4-2-5-9-15)18(22)21-19(20-14)23-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,21,22)

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Potential Energy
Epot(MMFF94)=34.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.432 g/mol  logS: -5.62746  SlogP: 4.18867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925394  Sterimol/B1: 2.12439  Sterimol/B2: 3.43316  Sterimol/B3: 4.73254
  Sterimol/B4: 6.25189  Sterimol/L: 17.4376 
 
 Surface and Volume Properties
  Accessible surface: 572.447  Positive charged surface: 327.503  Negative charged surface: 244.944  Volume: 316.375
  Hydrophobic surface: 467.488  Hydrophilic surface: 104.959
 
 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.