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IFLAB-ZINC02711437

 MMsINC code: MMs01998664
Type: Neutral
Formula: C16H14ClFN2O2S2
SMILES:   Clc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1
InChI:   InChI=1/C16H14ClFN2O2S2/c17-13-3-7-15(8-4-13)24(21,22)20-10-9-19-16(20)23-11-12-1-5-14(18)6-2-12/h1-8H,9-11H2

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Potential Energy
Epot(MMFF94)=31.7705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.883 g/mol  logS: -5.79269  SlogP: 4.0392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0880579  Sterimol/B1: 3.48136  Sterimol/B2: 4.36113  Sterimol/B3: 5.25435
  Sterimol/B4: 7.06087  Sterimol/L: 15.5229 
 
 Surface and Volume Properties
  Accessible surface: 589.055  Positive charged surface: 291.874  Negative charged surface: 297.181  Volume: 319.5
  Hydrophobic surface: 504.013  Hydrophilic surface: 85.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.