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ENAMINE-ZINC03428247

 MMsINC code: MMs01435877
Type: Neutral
Formula: C18H22ClN3O4S2
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)N(CC(=O)NCc2sccc2)CC)C)cc1
InChI:   InChI=1/C18H22ClN3O4S2/c1-3-22(12-17(23)20-11-15-5-4-10-27-15)18(24)13-21(2)28(25,26)16-8-6-14(19)7-9-16/h4-10H,3,11-13H2,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=60.6489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.976 g/mol  logS: -4.17366  SlogP: 2.4533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142712  Sterimol/B1: 2.52504  Sterimol/B2: 2.56124  Sterimol/B3: 6.78098
  Sterimol/B4: 10.5474  Sterimol/L: 17.2756 
 
 Surface and Volume Properties
  Accessible surface: 691.128  Positive charged surface: 364.781  Negative charged surface: 326.347  Volume: 386.5
  Hydrophobic surface: 551.763  Hydrophilic surface: 139.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.