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PUBCHEM-ZINC02078492

 MMsINC code: MMs02870218
Type: Neutral
Formula: C24H32N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NCCc1ccc(OC)cc1)C1CCCCC1)c1ccc(cc1)C
InChI:   InChI=1/C24H32N2O4S/c1-19-8-14-23(15-9-19)31(28,29)26(21-6-4-3-5-7-21)18-24(27)25-17-16-20-10-12-22(30-2)13-11-20/h8-15,21H,3-7,16-18H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.7221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.596 g/mol  logS: -5.29582  SlogP: 3.68589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473369  Sterimol/B1: 2.48888  Sterimol/B2: 3.10194  Sterimol/B3: 5.28342
  Sterimol/B4: 9.8939  Sterimol/L: 22.051 
 
 Surface and Volume Properties
  Accessible surface: 755.429  Positive charged surface: 502.573  Negative charged surface: 252.855  Volume: 432.375
  Hydrophobic surface: 661.697  Hydrophilic surface: 93.732
 
 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.