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ASINEX-ZINC01329359

 MMsINC code: MMs00236628
Type: Neutral
Formula: C24H34N2O4S2
SMILES:   S(=O)(=O)(N1CCCCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(cc2)C)C(CC)C)cc1
InChI:   InChI=1/C24H34N2O4S2/c1-4-21(3)26(19-22-11-9-20(2)10-12-22)32(29,30)24-15-13-23(14-16-24)31(27,28)25-17-7-5-6-8-18-25/h9-16,21H,4-8,17-19H2,1-3H3/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.8655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.678 g/mol  logS: -5.26593  SlogP: 4.81552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443014  Sterimol/B1: 2.52236  Sterimol/B2: 2.92456  Sterimol/B3: 5.36815
  Sterimol/B4: 7.64315  Sterimol/L: 21.1244 
 
 Surface and Volume Properties
  Accessible surface: 715.427  Positive charged surface: 449.343  Negative charged surface: 266.085  Volume: 451.5
  Hydrophobic surface: 592.6  Hydrophilic surface: 122.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.