Published Histories | ana88 | MPDS Compounds Library Search
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Galaxy History ' MPDS Compounds Library Search'

DatasetAnnotation
1: Database Id Search
2.0 KB
format: html, database: ? 
HTML file
4: Fingerprint Based Search
382.7 KB
format: html, database: ? 
HTML file
5: Conformer3D_CID_3767.sdf
133 lines
format: txt, database: ?
Info:
uploaded txt file
3767
-OEChem-06032022163D
17 17  0     0  0  0  0  0  0999 V2000
1.8074   -1.4510    0.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
2.1524    0.7510   -0.2342 N   0  0  0  0  0  0  0  0  0  0  0  0
6: Exact-structure Search on data 5
1.9 KB
format: html, database: ? 
HTML file
7: Search Result
~210,000 lines
format: tabular, database: ? 
123456789101112
Sr.No.Molecular FormulaMolecular WeightHeavy AtomsNo. of RingsNo. of Rotatable BondsHBDHBAAlogpmolar refractivityTPSAPolarizability
1C11H10ClNO207.05142.004.00120.4224.6632.861.62
8: Sub-structure Search on data 5
30.0 KB
format: html, database: ? 
HTML file