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PUBCHEM-ZINC00660977

 MMsINC code: MMs02722453
Type: Neutral
Formula: C23H23N3O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(=O)N)c1cc(C)c(cc1)C)c1ccccc1
InChI:   InChI=1/C23H23N3O4S/c1-16-8-13-20(14-17(16)2)26(31(29,30)21-6-4-3-5-7-21)15-22(27)25-19-11-9-18(10-12-19)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)=129.572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.52 g/mol  logS: -6.31869  SlogP: 3.23634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529081  Sterimol/B1: 1.97139  Sterimol/B2: 3.34284  Sterimol/B3: 4.30525
  Sterimol/B4: 11.4404  Sterimol/L: 18.2235 
 
 Surface and Volume Properties
  Accessible surface: 686.368  Positive charged surface: 370.082  Negative charged surface: 316.287  Volume: 399.25
  Hydrophobic surface: 496.879  Hydrophilic surface: 189.489
 
 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.