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ASINEX-ZINC00653119

 MMsINC code: MMs00145918
Type: Neutral
Formula: C23H30N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NC1CCCCC1)c1ccccc1OCC)c1ccc(cc1)C
InChI:   InChI=1/C23H30N2O4S/c1-3-29-22-12-8-7-11-21(22)25(17-23(26)24-19-9-5-4-6-10-19)30(27,28)20-15-13-18(2)14-16-20/h7-8,11-16,19H,3-6,9-10,17H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.6775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.569 g/mol  logS: -5.61752  SlogP: 4.03792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0960666  Sterimol/B1: 2.3476  Sterimol/B2: 3.36274  Sterimol/B3: 6.82991
  Sterimol/B4: 8.1415  Sterimol/L: 18.3046 
 
 Surface and Volume Properties
  Accessible surface: 700.965  Positive charged surface: 459.726  Negative charged surface: 241.239  Volume: 417.75
  Hydrophobic surface: 610.802  Hydrophilic surface: 90.163
 
 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.