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PUBCHEM-ZINC06038809

 MMsINC code: MMs03508248
Type: Neutral
Formula: C24H27N3O3S2
SMILES:   S(CCNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1CC)c1ncccc1
InChI:   InChI=1/C24H27N3O3S2/c1-3-20-8-4-5-9-22(20)27(32(29,30)21-13-11-19(2)12-14-21)18-23(28)25-16-17-31-24-10-6-7-15-26-24/h4-15H,3,16-18H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.63 g/mol  logS: -6.31334  SlogP: 4.05619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125283  Sterimol/B1: 2.53336  Sterimol/B2: 3.64495  Sterimol/B3: 7.28745
  Sterimol/B4: 10.063  Sterimol/L: 18.6823 
 
 Surface and Volume Properties
  Accessible surface: 759.153  Positive charged surface: 461.371  Negative charged surface: 297.782  Volume: 441.625
  Hydrophobic surface: 618.237  Hydrophilic surface: 140.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.