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PUBCHEM-ZINC03662393

 MMsINC code: MMs03036366
Type: Neutral
Formula: C19H23ClN2S2
SMILES:   Clc1ccc(NC(=S)N(Cc2sccc2)C2CCCCC2)cc1C
InChI:   InChI=1/C19H23ClN2S2/c1-14-12-15(9-10-18(14)20)21-19(23)22(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=135.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.992 g/mol  logS: -6.71625  SlogP: 6.50802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215041  Sterimol/B1: 2.09852  Sterimol/B2: 4.0417  Sterimol/B3: 6.44392
  Sterimol/B4: 7.8574  Sterimol/L: 14.5867 
 
 Surface and Volume Properties
  Accessible surface: 603.265  Positive charged surface: 335.284  Negative charged surface: 267.981  Volume: 355.375
  Hydrophobic surface: 564.695  Hydrophilic surface: 38.57
 
 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.