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MAYBRIDGE-ZINC04349072

 MMsINC code: MMs02170351
Type: Neutral
Formula: C13H11Cl2NO3S2
SMILES:   Clc1cc(S(=O)([O-])=N[S+](=O)(C)c2ccccc2)ccc1Cl
InChI:   InChI=1/C13H11Cl2NO3S2/c1-20(17,10-5-3-2-4-6-10)16-21(18,19)11-7-8-12(14)13(15)9-11/h2-9H,1H3/t20-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.273 g/mol  logS: -5.06452  SlogP: 3.9441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759838  Sterimol/B1: 2.29138  Sterimol/B2: 2.5712  Sterimol/B3: 4.52779
  Sterimol/B4: 7.68265  Sterimol/L: 15.6622 
 
 Surface and Volume Properties
  Accessible surface: 535.007  Positive charged surface: 178.576  Negative charged surface: 356.431  Volume: 283.375
  Hydrophobic surface: 454.915  Hydrophilic surface: 80.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 1
 
 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.