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PUBCHEM-ZINC06131006

 MMsINC code: MMs03551645
Type: Neutral
Formula: C26H29N3O4S
SMILES:   S(=O)(=O)(Nc1ccccc1OC)c1cc(ccc1C)C(=O)N(C1CCCCC1)c1ncccc1
InChI:   InChI=1/C26H29N3O4S/c1-19-15-16-20(18-24(19)34(31,32)28-22-12-6-7-13-23(22)33-2)26(30)29(21-10-4-3-5-11-21)25-14-8-9-17-27-25/h6-9,12-18,21,28H,3-5,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=630.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.601 g/mol  logS: -5.64583  SlogP: 5.17892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113116  Sterimol/B1: 2.75595  Sterimol/B2: 4.07001  Sterimol/B3: 5.40225
  Sterimol/B4: 9.00457  Sterimol/L: 18.4859 
 
 Surface and Volume Properties
  Accessible surface: 713.764  Positive charged surface: 458.636  Negative charged surface: 255.128  Volume: 437.125
  Hydrophobic surface: 606.299  Hydrophilic surface: 107.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.