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ASINEX-ZINC00795316

 MMsINC code: MMs00167110
Type: Neutral
Formula: C18H23N3O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
InChI:   InChI=1/C18H23N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h7-10,12-14H,1-6,11H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=45.0195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.532 g/mol  logS: -5.91859  SlogP: 4.2429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338017  Sterimol/B1: 3.54961  Sterimol/B2: 3.82148  Sterimol/B3: 4.06539
  Sterimol/B4: 6.19215  Sterimol/L: 19.7809 
 
 Surface and Volume Properties
  Accessible surface: 641.53  Positive charged surface: 414.497  Negative charged surface: 227.033  Volume: 351.875
  Hydrophobic surface: 487.443  Hydrophilic surface: 154.087
 
 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.