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ENAMINE-ZINC06627384

 MMsINC code: MMs01687755
Type: Neutral
Formula: C13H13ClN2O4S2
SMILES:   Clc1ccccc1S(=O)(=O)NCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C13H13ClN2O4S2/c14-12-3-1-2-4-13(12)22(19,20)16-9-10-5-7-11(8-6-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=27.2729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.842 g/mol  logS: -3.95166  SlogP: 1.7323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714383  Sterimol/B1: 2.83848  Sterimol/B2: 3.24046  Sterimol/B3: 5.0875
  Sterimol/B4: 5.12867  Sterimol/L: 16.206 
 
 Surface and Volume Properties
  Accessible surface: 540.533  Positive charged surface: 229.485  Negative charged surface: 311.048  Volume: 282.125
  Hydrophobic surface: 327.511  Hydrophilic surface: 213.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01687756
ENAMINE-ZINC06627384