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PUBCHEM-ZINC00049542

 MMsINC code: MMs02630249
Type: Neutral
Formula: C15H11NO2S3
SMILES:   S1S\C(=N\S(=O)(=O)c2ccccc2)\C=C1c1ccccc1
InChI:   InChI=1/C15H11NO2S3/c17-21(18,13-9-5-2-6-10-13)16-15-11-14(19-20-15)12-7-3-1-4-8-12/h1-11H/b16-15-

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Potential Energy
Epot(MMFF94)=51.1779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.456 g/mol  logS: -6.70336  SlogP: 4.2099  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421328  Sterimol/B1: 3.21489  Sterimol/B2: 3.61702  Sterimol/B3: 3.61847
  Sterimol/B4: 6.34789  Sterimol/L: 16.9624 
 
 Surface and Volume Properties
  Accessible surface: 541.876  Positive charged surface: 214.165  Negative charged surface: 327.71  Volume: 283.625
  Hydrophobic surface: 474.576  Hydrophilic surface: 67.3
 
 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.