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ENAMINE-ZINC03273669

 MMsINC code: MMs01344103
Type: Neutral
Formula: C23H18Cl3N3O5S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)C(OCC(=O)Nc1ncc(Cl)cc1C
l)=O
InChI:   InChI=1/C23H18Cl3N3O5S/c24-17-10-19(26)22(27-11-17)28-21(30)13-34-23(31)15-5-6-18(25)20(9-15)35(32,33)29-8-7-14-3-1-2-4-16(14)12-29/h1-6,9-11H,7-8,12-13H2,(H,27,28,30)

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Potential Energy
Epot(MMFF94)=107.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 554.838 g/mol  logS: -6.88436  SlogP: 4.85067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294709  Sterimol/B1: 3.04789  Sterimol/B2: 3.49384  Sterimol/B3: 5.19694
  Sterimol/B4: 7.19264  Sterimol/L: 24.4868 
 
 Surface and Volume Properties
  Accessible surface: 781.018  Positive charged surface: 364.677  Negative charged surface: 416.341  Volume: 444
  Hydrophobic surface: 633.657  Hydrophilic surface: 147.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.