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NCID-ZINC01570694

 MMsINC code: MMs02230969
Type: Neutral
Formula: C16H17NO2S4
SMILES:   S1CCSC1(SC)c1ccccc1NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C16H17NO2S4/c1-20-16(21-11-12-22-16)14-9-5-6-10-15(14)17-23(18,19)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=68.2035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.581 g/mol  logS: -6.25668  SlogP: 4.7522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190069  Sterimol/B1: 2.4611  Sterimol/B2: 3.36847  Sterimol/B3: 5.28485
  Sterimol/B4: 8.48714  Sterimol/L: 13.1237 
 
 Surface and Volume Properties
  Accessible surface: 539.682  Positive charged surface: 283.001  Negative charged surface: 256.681  Volume: 328.625
  Hydrophobic surface: 416.105  Hydrophilic surface: 123.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.