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ENAMINE-ZINC05415931

 MMsINC code: MMs01610531
Type: Neutral
Formula: C19H19N3O3S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc(\N=C/2\c3c(NC\2=O)cccc3)ccc1
InChI:   InChI=1/C19H19N3O3S/c23-19-18(16-9-2-3-10-17(16)21-19)20-14-7-6-8-15(13-14)26(24,25)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12H2,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=73.0001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.445 g/mol  logS: -4.62706  SlogP: 2.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629711  Sterimol/B1: 2.47615  Sterimol/B2: 3.02607  Sterimol/B3: 4.87477
  Sterimol/B4: 7.24686  Sterimol/L: 17.2266 
 
 Surface and Volume Properties
  Accessible surface: 588.645  Positive charged surface: 359.889  Negative charged surface: 228.756  Volume: 332.125
  Hydrophobic surface: 432.697  Hydrophilic surface: 155.948
 
 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.