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ASINEX-ZINC00831091

 MMsINC code: MMs00185369
Type: Neutral
Formula: C19H22N2O3S
SMILES:   S(C(C(=O)N\N=C(/C)\c1cc(OC)c(OC)cc1)C)c1ccccc1
InChI:   InChI=1/C19H22N2O3S/c1-13(15-10-11-17(23-3)18(12-15)24-4)20-21-19(22)14(2)25-16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,21,22)/b20-13+/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=132.523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.462 g/mol  logS: -5.32012  SlogP: 3.7248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117407  Sterimol/B1: 2.18547  Sterimol/B2: 2.63478  Sterimol/B3: 6.14575
  Sterimol/B4: 8.05359  Sterimol/L: 17.3221 
 
 Surface and Volume Properties
  Accessible surface: 645.652  Positive charged surface: 418.829  Negative charged surface: 226.823  Volume: 347.75
  Hydrophobic surface: 538.62  Hydrophilic surface: 107.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.