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ENAMINE-ZINC06948632

 MMsINC code: MMs01716668
Type: Neutral
Formula: C20H18N2O3S
SMILES:   S(=O)(=O)(NC(=O)Nc1ccc(cc1)-c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C20H18N2O3S/c1-15-7-13-19(14-8-15)26(24,25)22-20(23)21-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=39.1423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.441 g/mol  logS: -6.37544  SlogP: 4.17242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325767  Sterimol/B1: 2.13634  Sterimol/B2: 2.56911  Sterimol/B3: 4.76483
  Sterimol/B4: 8.35719  Sterimol/L: 17.0035 
 
 Surface and Volume Properties
  Accessible surface: 618.49  Positive charged surface: 306.591  Negative charged surface: 301.032  Volume: 337.75
  Hydrophobic surface: 495.659  Hydrophilic surface: 122.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01716669
ENAMINE-ZINC06948632