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CHEMDIV-ZINC02286308

 MMsINC code: MMs00873060
Type: Neutral
Formula: C23H18ClNOS
SMILES:   Clc1c2c(sc1C(=O)N(Cc1ccccc1)Cc1ccccc1)cccc2
InChI:   InChI=1/C23H18ClNOS/c24-21-19-13-7-8-14-20(19)27-22(21)23(26)25(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.922 g/mol  logS: -7.34846  SlogP: 6.9301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117274  Sterimol/B1: 2.90655  Sterimol/B2: 3.61911  Sterimol/B3: 5.65854
  Sterimol/B4: 8.49782  Sterimol/L: 15.8375 
 
 Surface and Volume Properties
  Accessible surface: 603.099  Positive charged surface: 290.59  Negative charged surface: 309.533  Volume: 364.75
  Hydrophobic surface: 573.776  Hydrophilic surface: 29.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.