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ENAMINE-ZINC07004914

 MMsINC code: MMs01718932
Type: Neutral
Formula: C18H17N3O3S2
SMILES:   s1ccnc1N(S(=O)(=O)c1ccccc1)CC(=O)Nc1ccc(cc1)C
InChI:   InChI=1/C18H17N3O3S2/c1-14-7-9-15(10-8-14)20-17(22)13-21(18-19-11-12-25-18)26(23,24)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=75.0783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.484 g/mol  logS: -5.06402  SlogP: 3.28552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206465  Sterimol/B1: 3.01937  Sterimol/B2: 5.58376  Sterimol/B3: 5.98742
  Sterimol/B4: 6.01421  Sterimol/L: 14.8736 
 
 Surface and Volume Properties
  Accessible surface: 605.485  Positive charged surface: 345.678  Negative charged surface: 259.807  Volume: 340.875
  Hydrophobic surface: 513.746  Hydrophilic surface: 91.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.