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IFLAB-ZINC04276593

 MMsINC code: MMs02035042
Type: Neutral
Formula: C13H11ClFNO3S2
SMILES:   Clc1c2c(sc1C(=O)NC1CCS(=O)(=O)C1)cc(F)cc2
InChI:   InChI=1/C13H11ClFNO3S2/c14-11-9-2-1-7(15)5-10(9)20-12(11)13(17)16-8-3-4-21(18,19)6-8/h1-2,5,8H,3-4,6H2,(H,16,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=34.6382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.818 g/mol  logS: -4.67541  SlogP: 2.6107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037269  Sterimol/B1: 3.30626  Sterimol/B2: 3.7529  Sterimol/B3: 4.45437
  Sterimol/B4: 4.54368  Sterimol/L: 15.8183 
 
 Surface and Volume Properties
  Accessible surface: 513.882  Positive charged surface: 212.7  Negative charged surface: 295.646  Volume: 266.875
  Hydrophobic surface: 405.054  Hydrophilic surface: 108.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.