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OTAVA-ZINC01248055

 MMsINC code: MMs02559790
Type: Neutral
Formula: C19H19ClN2O3S3
SMILES:   Clc1sc(S(=O)(=O)\N=C/2\SC(c3ccccc3)C(=O)N\2C2CCCCC2)cc1
InChI:   InChI=1/C19H19ClN2O3S3/c20-15-11-12-16(26-15)28(24,25)21-19-22(14-9-5-2-6-10-14)18(23)17(27-19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2/b21-19-/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=45.5489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.023 g/mol  logS: -7.63243  SlogP: 5.1911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139245  Sterimol/B1: 2.98139  Sterimol/B2: 3.92066  Sterimol/B3: 5.34585
  Sterimol/B4: 6.67936  Sterimol/L: 18.1881 
 
 Surface and Volume Properties
  Accessible surface: 658.925  Positive charged surface: 294.233  Negative charged surface: 364.692  Volume: 379.875
  Hydrophobic surface: 548.903  Hydrophilic surface: 110.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.