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ENAMINE-ZINC02649843

 MMsINC code: MMs01274621
Type: Neutral
Formula: C24H23N3O4S2
SMILES:   S1CCN=C1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)ccc1
InChI:   InChI=1/C24H23N3O4S2/c1-31-21-12-10-20(11-13-21)27(17-18-6-3-2-4-7-18)33(29,30)22-9-5-8-19(16-22)23(28)26-24-25-14-15-32-24/h2-13,16H,14-15,17H2,1H3,(H,25,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.6736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.597 g/mol  logS: -6.76547  SlogP: 4.1897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511994  Sterimol/B1: 2.50249  Sterimol/B2: 3.76729  Sterimol/B3: 4.28629
  Sterimol/B4: 11.7341  Sterimol/L: 20.0966 
 
 Surface and Volume Properties
  Accessible surface: 741.044  Positive charged surface: 461.78  Negative charged surface: 279.264  Volume: 433.875
  Hydrophobic surface: 581.304  Hydrophilic surface: 159.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.