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PUBCHEM-ZINC06051028

 MMsINC code: MMs03515537
Type: Neutral
Formula: C24H34N2O3S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)c1ccc(NC(=O)CCCc2ccccc2)cc1
InChI:   InChI=1/C24H34N2O3S/c1-3-5-19-26(20-6-4-2)30(28,29)23-17-15-22(16-18-23)25-24(27)14-10-13-21-11-8-7-9-12-21/h7-9,11-12,15-18H,3-6,10,13-14,19-20H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.613 g/mol  logS: -5.81544  SlogP: 5.23887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435065  Sterimol/B1: 2.39076  Sterimol/B2: 2.45063  Sterimol/B3: 6.36516
  Sterimol/B4: 10.7203  Sterimol/L: 21.3781 
 
 Surface and Volume Properties
  Accessible surface: 780.071  Positive charged surface: 509.053  Negative charged surface: 271.019  Volume: 436.5
  Hydrophobic surface: 639.865  Hydrophilic surface: 140.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.