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MAYBRIDGE-ZINC01039668

 MMsINC code: MMs02153353
Type: Neutral
Formula: C15H10F3NO2S3
SMILES:   s1cc(NS(=O)(=O)c2sccc2)c(-c2ccccc2)c1C(F)(F)F
InChI:   InChI=1/C15H10F3NO2S3/c16-15(17,18)14-13(10-5-2-1-3-6-10)11(9-23-14)19-24(20,21)12-7-4-8-22-12/h1-9,19H

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Potential Energy
Epot(MMFF94)=61.5399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.442 g/mol  logS: -6.30133  SlogP: 5.6077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333601  Sterimol/B1: 2.40827  Sterimol/B2: 4.3677  Sterimol/B3: 4.60446
  Sterimol/B4: 8.21797  Sterimol/L: 11.4165 
 
 Surface and Volume Properties
  Accessible surface: 531.214  Positive charged surface: 182.868  Negative charged surface: 348.346  Volume: 296.375
  Hydrophobic surface: 373.02  Hydrophilic surface: 158.194
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.