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PUBCHEM-ZINC01155358

 MMsINC code: MMs02780409
Type: Neutral
Formula: C24H24ClFN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC(=O)Nc2ccc(cc2)C(C)C)cc1
InChI:   InChI=1/C24H24ClFN2O3S/c1-17(2)19-5-11-22(12-6-19)27-24(29)16-28(15-18-3-9-21(26)10-4-18)32(30,31)23-13-7-20(25)8-14-23/h3-14,17H,15-16H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.5003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.984 g/mol  logS: -7.5964  SlogP: 5.6985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664935  Sterimol/B1: 3.77495  Sterimol/B2: 4.27502  Sterimol/B3: 6.04403
  Sterimol/B4: 7.24176  Sterimol/L: 18.7397 
 
 Surface and Volume Properties
  Accessible surface: 728.883  Positive charged surface: 381.637  Negative charged surface: 347.246  Volume: 429.5
  Hydrophobic surface: 611.602  Hydrophilic surface: 117.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.