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ASINEX-ZINC04568597

 MMsINC code: MMs00352733
Type: Neutral
Formula: C17H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)NCC2OCCC2)cc1
InChI:   InChI=1/C17H23ClN2O4S/c18-14-5-7-16(8-6-14)25(22,23)20-9-1-3-13(12-20)17(21)19-11-15-4-2-10-24-15/h5-8,13,15H,1-4,9-12H2,(H,19,21)/t13-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=37.9999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.9 g/mol  logS: -3.20918  SlogP: 2.0359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106058  Sterimol/B1: 3.31371  Sterimol/B2: 4.94666  Sterimol/B3: 4.99003
  Sterimol/B4: 6.6229  Sterimol/L: 16.0906 
 
 Surface and Volume Properties
  Accessible surface: 623.865  Positive charged surface: 386.067  Negative charged surface: 237.799  Volume: 341.75
  Hydrophobic surface: 519.085  Hydrophilic surface: 104.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.