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CHEMDIV-ZINC04316088

 MMsINC code: MMs00933771
Type: Neutral
Formula: C19H18ClNO5S
SMILES:   Clc1ccc(S(=O)(=O)C2C3CC(Oc4c3cccc4OC)(NC2=O)C)cc1
InChI:   InChI=1/C19H18ClNO5S/c1-19-10-14(13-4-3-5-15(25-2)16(13)26-19)17(18(22)21-19)27(23,24)12-8-6-11(20)7-9-12/h3-9,14,17H,10H2,1-2H3,(H,21,22)/t14-,17+,19-/m1/s1

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Potential Energy
Epot(MMFF94)=104.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.874 g/mol  logS: -5.11974  SlogP: 2.9032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209024  Sterimol/B1: 2.23911  Sterimol/B2: 3.43327  Sterimol/B3: 5.24494
  Sterimol/B4: 8.39112  Sterimol/L: 15.9288 
 
 Surface and Volume Properties
  Accessible surface: 580.506  Positive charged surface: 342.023  Negative charged surface: 238.483  Volume: 338
  Hydrophobic surface: 479.865  Hydrophilic surface: 100.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.