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ENAMINE-ZINC03260084

 MMsINC code: MMs01336195
Type: Neutral
Formula: C18H19ClN2O5S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(OCC(=O)Nc2ccc(cc2)C)=O)C)cc1
InChI:   InChI=1/C18H19ClN2O5S/c1-13-3-7-15(8-4-13)20-17(22)12-26-18(23)11-21(2)27(24,25)16-9-5-14(19)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=77.8195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.878 g/mol  logS: -4.91125  SlogP: 2.45082  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0357751  Sterimol/B1: 3.62333  Sterimol/B2: 3.9359  Sterimol/B3: 4.89494
  Sterimol/B4: 7.06526  Sterimol/L: 18.403 
 
 Surface and Volume Properties
  Accessible surface: 662.742  Positive charged surface: 366.736  Negative charged surface: 296.006  Volume: 356.75
  Hydrophobic surface: 528.615  Hydrophilic surface: 134.127
 
 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.