Molecular search results

MERLIN ready: 813 searchable structures


Results of search with: Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)[O-]

Number Similarity SMILES Reference
1. 1.0000 Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)[O-]

Search using HTDIG

2. 0.6418 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O

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http://www.faidherbe.org/site/cours/dupuis/images6/alizar.pdb


3. 0.3152 OC(C1c2ccccc2Cc3ccccc13)C(F)(F)F.OC(C1c2ccccc2Cc3ccccc13)C(F)(F)F.OC(C1c2ccccc2Cc3ccccc13)C(F)(F)F.OC(C1c2ccccc2Cc3ccccc13)C(F)(F)F

Search using HTDIG

http://www.ch.ic.ac.uk/motm/nanobiotic/pirkle-rs.pdb
http://www.ch.ic.ac.uk/GPCR/TEST/imperial/motm/nanobiotic/pirkle-rs.pdb
http://www.ch.ic.ac.uk/GPCR/CAROL/motm/nanobiotic/pirkle-rs.pdb


10. 0.2490 CC(=O)Oc1ccccc1C(=O)O

Search using HTDIG

http://www.chem.ox.ac.uk/mom/aspirin/ASPIRIN.mol
http://www.bris.ac.uk/Depts/Chemistry/MOTM/aspirin/aspirin.pdb
http://www.faidherbe.org/site/cours/dupuis/images6/aspirine.pdb