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ENAMINE-ZINC03478556

 MMsINC code: MMs01464775
Type: Neutral
Formula: C19H22N2O5S
SMILES:   S(=O)(=O)(NCC(OCC(=O)NCc1ccc(cc1)C)=O)c1ccc(cc1)C
InChI:   InChI=1/C19H22N2O5S/c1-14-3-7-16(8-4-14)11-20-18(22)13-26-19(23)12-21-27(24,25)17-9-5-15(2)6-10-17/h3-10,21H,11-13H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=45.9405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.46 g/mol  logS: -4.51934  SlogP: 1.70774  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0325333  Sterimol/B1: 2.67551  Sterimol/B2: 4.53529  Sterimol/B3: 4.82704
  Sterimol/B4: 5.24377  Sterimol/L: 22.4862 
 
 Surface and Volume Properties
  Accessible surface: 703.024  Positive charged surface: 405.812  Negative charged surface: 297.212  Volume: 357.625
  Hydrophobic surface: 517.133  Hydrophilic surface: 185.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.