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ASINEX-ZINC01188441

 MMsINC code: MMs00230448
Type: Neutral
Formula: C20H24N2O2S2
SMILES:   s1c2c(CCCCC2)c(C(=O)N2CCCCC2)c1NC(=O)c1sccc1
InChI:   InChI=1/C20H24N2O2S2/c23-18(16-10-7-13-25-16)21-19-17(20(24)22-11-5-2-6-12-22)14-8-3-1-4-9-15(14)26-19/h7,10,13H,1-6,8-9,11-12H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=74.0908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.556 g/mol  logS: -5.52487  SlogP: 4.95684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910821  Sterimol/B1: 3.88644  Sterimol/B2: 4.23543  Sterimol/B3: 4.32265
  Sterimol/B4: 8.17378  Sterimol/L: 16.1372 
 
 Surface and Volume Properties
  Accessible surface: 615.815  Positive charged surface: 384.001  Negative charged surface: 231.814  Volume: 359.25
  Hydrophobic surface: 558.131  Hydrophilic surface: 57.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.