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CHEMDIV-ZINC02921245

 MMsINC code: MMs00891341
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChI:   InChI=1/C24H25N3O4S/c1-3-27(4-2)32(30,31)20-14-10-11-18(17-20)23(28)26-22-16-9-8-15-21(22)24(29)25-19-12-6-5-7-13-19/h5-17H,3-4H2,1-2H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -5.89284  SlogP: 4.2217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652782  Sterimol/B1: 2.40786  Sterimol/B2: 6.56001  Sterimol/B3: 6.82338
  Sterimol/B4: 6.87901  Sterimol/L: 19.012 
 
 Surface and Volume Properties
  Accessible surface: 728.448  Positive charged surface: 413.971  Negative charged surface: 314.477  Volume: 421.875
  Hydrophobic surface: 580.288  Hydrophilic surface: 148.16
 
 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.