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ASINEX-ZINC00882562

 MMsINC code: MMs00206599
Type: Neutral
Formula: C23H23N3O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(=O)N)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C23H23N3O4S/c1-16-3-11-20(12-4-16)26(31(29,30)21-13-5-17(2)6-14-21)15-22(27)25-19-9-7-18(8-10-19)23(24)28/h3-14H,15H2,1-2H3,(H2,24,28)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.52 g/mol  logS: -6.31869  SlogP: 3.23634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580069  Sterimol/B1: 1.97079  Sterimol/B2: 3.14173  Sterimol/B3: 4.81093
  Sterimol/B4: 11.3282  Sterimol/L: 19.4301 
 
 Surface and Volume Properties
  Accessible surface: 717.698  Positive charged surface: 409.713  Negative charged surface: 307.985  Volume: 402.75
  Hydrophobic surface: 534.686  Hydrophilic surface: 183.012
 
 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.