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ASINEX-ZINC01325551

 MMsINC code: MMs00235039
Type: Neutral
Formula: C19H24N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChI:   InChI=1/C19H24N2O4S2/c22-26(23,20-15-16-7-3-1-4-8-16)18-11-13-19(14-12-18)27(24,25)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2

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Potential Energy
Epot(MMFF94)=5.28211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.543 g/mol  logS: -4.29988  SlogP: 3.0425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705746  Sterimol/B1: 2.96346  Sterimol/B2: 4.2202  Sterimol/B3: 5.4233
  Sterimol/B4: 6.10197  Sterimol/L: 19.3602 
 
 Surface and Volume Properties
  Accessible surface: 660.819  Positive charged surface: 371.393  Negative charged surface: 289.425  Volume: 365.5
  Hydrophobic surface: 501.102  Hydrophilic surface: 159.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.