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ENAMINE-ZINC03328655

 MMsINC code: MMs01375183
Type: Neutral
Formula: C26H27NO6S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1OC)C(Oc1ccc(cc1C)-c1ccc(cc1)C)=O
InChI:   InChI=1/C26H27NO6S/c1-18-4-6-20(7-5-18)21-8-10-23(19(2)16-21)33-26(28)22-9-11-24(31-3)25(17-22)34(29,30)27-12-14-32-15-13-27/h4-11,16-17H,12-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.05 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.569 g/mol  logS: -6.81513  SlogP: 4.21914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374832  Sterimol/B1: 3.73343  Sterimol/B2: 4.64435  Sterimol/B3: 5.08816
  Sterimol/B4: 6.58034  Sterimol/L: 23.178 
 
 Surface and Volume Properties
  Accessible surface: 768.921  Positive charged surface: 476.993  Negative charged surface: 281.547  Volume: 445
  Hydrophobic surface: 678.677  Hydrophilic surface: 90.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.