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NCID-ZINC04521257

 MMsINC code: MMs02388929
Type: Neutral
Formula: C14H12O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)c1ccccc1)=C)c1ccccc1
InChI:   InChI=1/C14H12O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h2-11H,1H2

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Potential Energy
Epot(MMFF94)=46.4401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.378 g/mol  logS: -4.07834  SlogP: 2.4054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835363  Sterimol/B1: 2.097  Sterimol/B2: 4.05624  Sterimol/B3: 4.05695
  Sterimol/B4: 7.04527  Sterimol/L: 14.1191 
 
 Surface and Volume Properties
  Accessible surface: 475.758  Positive charged surface: 206.456  Negative charged surface: 269.302  Volume: 261.375
  Hydrophobic surface: 356.135  Hydrophilic surface: 119.623
 
 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.