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PUBCHEM-ZINC03662391

 MMsINC code: MMs03036363
Type: Neutral
Formula: C20H19ClN2S2
SMILES:   Clc1ccc(NC(=S)N(Cc2ccccc2)Cc2sccc2)cc1C
InChI:   InChI=1/C20H19ClN2S2/c1-15-12-17(9-10-19(15)21)22-20(24)23(14-18-8-5-11-25-18)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=110.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.971 g/mol  logS: -7.01301  SlogP: 6.64192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145123  Sterimol/B1: 2.28865  Sterimol/B2: 5.29094  Sterimol/B3: 6.19111
  Sterimol/B4: 8.14823  Sterimol/L: 15.7824 
 
 Surface and Volume Properties
  Accessible surface: 621.332  Positive charged surface: 294.508  Negative charged surface: 326.824  Volume: 361
  Hydrophobic surface: 571.152  Hydrophilic surface: 50.18
 
 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.