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NCID-ZINC01568492

 MMsINC code: MMs02229347
Type: Neutral
Formula: C11H11ClF3NS2
SMILES:   Clc1ccc(cc1NC(SC(C)C)=S)C(F)(F)F
InChI:   InChI=1/C11H11ClF3NS2/c1-6(2)18-10(17)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-6H,1-2H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=106.6 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.795 g/mol  logS: -6.31503  SlogP: 5.5087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686604  Sterimol/B1: 2.67125  Sterimol/B2: 3.96091  Sterimol/B3: 4.00866
  Sterimol/B4: 5.99049  Sterimol/L: 13.4851 
 
 Surface and Volume Properties
  Accessible surface: 480.563  Positive charged surface: 179.054  Negative charged surface: 301.51  Volume: 245.25
  Hydrophobic surface: 260.028  Hydrophilic surface: 220.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.