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PUBCHEM-ZINC01174720

 MMsINC code: MMs02783399
Type: Neutral
Formula: C23H23N3O4S2
SMILES:   S(C)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(cc2)C(=O)N)c2ccc(cc2)C)cc1
InChI:   InChI=1/C23H23N3O4S2/c1-16-3-9-19(10-4-16)26(32(29,30)21-13-11-20(31-2)12-14-21)15-22(27)25-18-7-5-17(6-8-18)23(24)28/h3-14H,15H2,1-2H3,(H2,24,28)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.586 g/mol  logS: -6.86617  SlogP: 3.64982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512357  Sterimol/B1: 1.969  Sterimol/B2: 3.17049  Sterimol/B3: 4.74576
  Sterimol/B4: 11.3719  Sterimol/L: 21.1398 
 
 Surface and Volume Properties
  Accessible surface: 745.46  Positive charged surface: 403.546  Negative charged surface: 341.914  Volume: 423.375
  Hydrophobic surface: 520.025  Hydrophilic surface: 225.435
 
 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.