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ENAMINE-ZINC03433810

 MMsINC code: MMs01439197
Type: Neutral
Formula: C26H26N2O5S
SMILES:   S(=O)(=O)(N1CCc2c(C1)cccc2)c1cc(ccc1)C(OCC(=O)N(Cc1ccccc1)C)
=O
InChI:   InChI=1/C26H26N2O5S/c1-27(17-20-8-3-2-4-9-20)25(29)19-33-26(30)22-12-7-13-24(16-22)34(31,32)28-15-14-21-10-5-6-11-23(21)18-28/h2-13,16H,14-15,17-19H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.569 g/mol  logS: -5.46642  SlogP: 3.78177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731458  Sterimol/B1: 1.99394  Sterimol/B2: 3.66872  Sterimol/B3: 6.57438
  Sterimol/B4: 7.34311  Sterimol/L: 21.8175 
 
 Surface and Volume Properties
  Accessible surface: 775.85  Positive charged surface: 463.933  Negative charged surface: 311.917  Volume: 445.625
  Hydrophobic surface: 649.18  Hydrophilic surface: 126.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.