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ENAMINE-ZINC03194468

 MMsINC code: MMs01302455
Type: Neutral
Formula: C18H16ClN3O3S2
SMILES:   Clc1cc2c(nsc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChI:   InChI=1/C18H16ClN3O3S2/c19-12-3-8-16-15(11-12)17(26-21-16)18(23)20-13-4-6-14(7-5-13)27(24,25)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=71.2751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.929 g/mol  logS: -5.25615  SlogP: 3.9865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547613  Sterimol/B1: 4.21038  Sterimol/B2: 4.41397  Sterimol/B3: 4.76089
  Sterimol/B4: 5.17844  Sterimol/L: 19.0407 
 
 Surface and Volume Properties
  Accessible surface: 638.98  Positive charged surface: 348.514  Negative charged surface: 285.289  Volume: 353.375
  Hydrophobic surface: 519.826  Hydrophilic surface: 119.154
 
 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.