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CHEMDIV-ZINC02921174

 MMsINC code: MMs00891313
Type: Neutral
Formula: C24H23N3O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChI:   InChI=1/C24H23N3O5S/c28-23(18-7-6-10-20(17-18)33(30,31)27-13-15-32-16-14-27)26-22-12-5-4-11-21(22)24(29)25-19-8-2-1-3-9-19/h1-12,17H,13-16H2,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.53 g/mol  logS: -5.5299  SlogP: 3.2121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703645  Sterimol/B1: 2.53328  Sterimol/B2: 4.08836  Sterimol/B3: 4.83684
  Sterimol/B4: 11.2205  Sterimol/L: 18.8384 
 
 Surface and Volume Properties
  Accessible surface: 722.375  Positive charged surface: 433.004  Negative charged surface: 289.371  Volume: 418.875
  Hydrophobic surface: 599.459  Hydrophilic surface: 122.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.