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MAYBRIDGE-ZINC03083031

 MMsINC code: MMs02160135
Type: Neutral
Formula: C15H22ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)CCSCCOC(=O)NCCCC)cc1
InChI:   InChI=1/C15H22ClNO4S2/c1-2-3-8-17-15(18)21-9-10-22-11-12-23(19,20)14-6-4-13(16)5-7-14/h4-7H,2-3,8-12H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=16.5857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.929 g/mol  logS: -4.54533  SlogP: 3.3732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206156  Sterimol/B1: 3.41068  Sterimol/B2: 3.61772  Sterimol/B3: 3.62953
  Sterimol/B4: 4.29213  Sterimol/L: 25.0448 
 
 Surface and Volume Properties
  Accessible surface: 674.217  Positive charged surface: 395.079  Negative charged surface: 279.137  Volume: 337.625
  Hydrophobic surface: 496.025  Hydrophilic surface: 178.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.