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ENAMINE-ZINC03441240

 MMsINC code: MMs01444205
Type: Neutral
Formula: C22H18Cl2N2O3S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC(=CC1)c1ccccc1
InChI:   InChI=1/C22H18Cl2N2O3S2/c23-20-14-19(21(24)30-20)31(28,29)25-18-8-6-17(7-9-18)22(27)26-12-10-16(11-13-26)15-4-2-1-3-5-15/h1-10,14,25H,11-13H2

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Potential Energy
Epot(MMFF94)=92.8977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.435 g/mol  logS: -7.14578  SlogP: 5.7852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819503  Sterimol/B1: 3.41099  Sterimol/B2: 4.18254  Sterimol/B3: 4.47932
  Sterimol/B4: 6.46147  Sterimol/L: 19.7883 
 
 Surface and Volume Properties
  Accessible surface: 711.673  Positive charged surface: 313.378  Negative charged surface: 398.295  Volume: 409.375
  Hydrophobic surface: 591.938  Hydrophilic surface: 119.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.