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ENAMINE-ZINC03366245

 MMsINC code: MMs01398755
Type: Neutral
Formula: C24H25N3O5S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)NNC(=O)c1cc(Oc2ccccc2)ccc1
InChI:   InChI=1/C24H25N3O5S/c1-3-27(4-2)33(30,31)22-15-9-11-19(17-22)24(29)26-25-23(28)18-10-8-14-21(16-18)32-20-12-6-5-7-13-20/h5-17H,3-4H2,1-2H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.546 g/mol  logS: -5.93409  SlogP: 3.5842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238273  Sterimol/B1: 2.52782  Sterimol/B2: 3.5627  Sterimol/B3: 5.17344
  Sterimol/B4: 7.16214  Sterimol/L: 23.331 
 
 Surface and Volume Properties
  Accessible surface: 763.222  Positive charged surface: 412.035  Negative charged surface: 351.187  Volume: 430.25
  Hydrophobic surface: 573.509  Hydrophilic surface: 189.713
 
 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.