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CHEMDIV-ZINC04765456

 MMsINC code: MMs00950738
Type: Neutral
Formula: C24H20ClN3O3S
SMILES:   Clc1ccc(-n2cc(nc2S(=O)(=O)CC(=O)Nc2ccc(cc2)C)-c2ccccc2)cc1
InChI:   InChI=1/C24H20ClN3O3S/c1-17-7-11-20(12-8-17)26-23(29)16-32(30,31)24-27-22(18-5-3-2-4-6-18)15-28(24)21-13-9-19(25)10-14-21/h2-15H,16H2,1H3,(H,26,29)

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Potential Energy
Epot(MMFF94)=116.833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.961 g/mol  logS: -8.04922  SlogP: 4.91352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410746  Sterimol/B1: 3.55774  Sterimol/B2: 4.36432  Sterimol/B3: 5.12412
  Sterimol/B4: 9.87877  Sterimol/L: 20.4004 
 
 Surface and Volume Properties
  Accessible surface: 743.575  Positive charged surface: 364.646  Negative charged surface: 378.928  Volume: 416.375
  Hydrophobic surface: 638.274  Hydrophilic surface: 105.301
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.