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PUBCHEM-ZINC01134477

 MMsINC code: MMs02776730
Type: Neutral
Formula: C23H23ClN2O4S
SMILES:   Clc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChI:   InChI=1/C23H23ClN2O4S/c1-17-15-19(24)7-12-22(17)26-23(27)16-30-20-8-10-21(11-9-20)31(28,29)25-14-13-18-5-3-2-4-6-18/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.8021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.966 g/mol  logS: -5.9938  SlogP: 4.18689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360783  Sterimol/B1: 3.28051  Sterimol/B2: 3.84216  Sterimol/B3: 4.53479
  Sterimol/B4: 9.11449  Sterimol/L: 21.0335 
 
 Surface and Volume Properties
  Accessible surface: 761.847  Positive charged surface: 392.913  Negative charged surface: 368.933  Volume: 413.25
  Hydrophobic surface: 634.376  Hydrophilic surface: 127.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.