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ENAMINE-ZINC03322836

 MMsINC code: MMs01371171
Type: Neutral
Formula: C18H17ClN2O6S
SMILES:   Clc1ccc(S(=O)(=O)C)cc1NC(=O)COC(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C18H17ClN2O6S/c1-28(25,26)13-7-8-14(19)15(9-13)21-16(22)11-27-17(23)10-20-18(24)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22)

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Potential Energy
Epot(MMFF94)=101.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.861 g/mol  logS: -4.81059  SlogP: 1.6552  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0108279  Sterimol/B1: 2.31436  Sterimol/B2: 2.52414  Sterimol/B3: 4.20833
  Sterimol/B4: 8.8425  Sterimol/L: 21.0071 
 
 Surface and Volume Properties
  Accessible surface: 685.678  Positive charged surface: 340.604  Negative charged surface: 345.074  Volume: 358.125
  Hydrophobic surface: 489.547  Hydrophilic surface: 196.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.