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ENAMINE-ZINC03358089

 MMsINC code: MMs01394130
Type: Neutral
Formula: C19H17ClN4O5S2
SMILES:   Clc1ccccc1S(=O)(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChI:   InChI=1/C19H17ClN4O5S2/c20-16-4-1-2-5-17(16)30(26,27)13-10-18(25)23-14-6-8-15(9-7-14)31(28,29)24-19-21-11-3-12-22-19/h1-9,11-12H,10,13H2,(H,23,25)(H,21,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.953 g/mol  logS: -5.30465  SlogP: 2.7333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358502  Sterimol/B1: 3.22195  Sterimol/B2: 4.60489  Sterimol/B3: 4.95403
  Sterimol/B4: 5.41813  Sterimol/L: 21.2764 
 
 Surface and Volume Properties
  Accessible surface: 692.904  Positive charged surface: 357.284  Negative charged surface: 335.62  Volume: 385.75
  Hydrophobic surface: 486.613  Hydrophilic surface: 206.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.