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NCID-ZINC01617488

 MMsINC code: MMs02266636
Type: Neutral
Formula: C15H14O4S2
SMILES:   S(=O)(=O)(C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H14O4S2/c16-20(17,14-8-3-1-4-9-14)12-7-13-21(18,19)15-10-5-2-6-11-15/h1-12H,13H2/b12-7+

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Potential Energy
Epot(MMFF94)=71.6872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.405 g/mol  logS: -3.73317  SlogP: 2.4479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827241  Sterimol/B1: 3.19917  Sterimol/B2: 3.39795  Sterimol/B3: 4.40831
  Sterimol/B4: 5.52213  Sterimol/L: 15.8093 
 
 Surface and Volume Properties
  Accessible surface: 541.394  Positive charged surface: 248.185  Negative charged surface: 293.209  Volume: 278.375
  Hydrophobic surface: 420.713  Hydrophilic surface: 120.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.