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MAYBRIDGE-ZINC01038137

 MMsINC code: MMs02152632
Type: Neutral
Formula: C15H16O3S4
SMILES:   s1c(SC)c(S(=O)(=O)C(C)C)cc1C(Sc1ccccc1)=O
InChI:   InChI=1/C15H16O3S4/c1-10(2)22(17,18)13-9-12(21-15(13)19-3)14(16)20-11-7-5-4-6-8-11/h4-10H,1-3H3

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Potential Energy
Epot(MMFF94)=56.3139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.554 g/mol  logS: -6.49593  SlogP: 4.5846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696155  Sterimol/B1: 2.44291  Sterimol/B2: 3.76442  Sterimol/B3: 3.88553
  Sterimol/B4: 7.96871  Sterimol/L: 16.678 
 
 Surface and Volume Properties
  Accessible surface: 579.586  Positive charged surface: 276.429  Negative charged surface: 303.157  Volume: 319.375
  Hydrophobic surface: 408.025  Hydrophilic surface: 171.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.