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PUBCHEM-ZINC06175063

 MMsINC code: MMs03581129
Type: Neutral
Formula: C15H14ClN3O2S2
SMILES:   Clc1ccc(S(=O)(=O)\N=C(/N=C(\SC)/N)\c2ccccc2)cc1
InChI:   InChI=1/C15H14ClN3O2S2/c1-22-15(17)18-14(11-5-3-2-4-6-11)19-23(20,21)13-9-7-12(16)8-10-13/h2-10H,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=43.7663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.881 g/mol  logS: -6.04293  SlogP: 3.1532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176682  Sterimol/B1: 2.48132  Sterimol/B2: 3.21304  Sterimol/B3: 4.80289
  Sterimol/B4: 9.36786  Sterimol/L: 15.0438 
 
 Surface and Volume Properties
  Accessible surface: 589.395  Positive charged surface: 263.786  Negative charged surface: 325.609  Volume: 311.875
  Hydrophobic surface: 448.784  Hydrophilic surface: 140.611
 
 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.