ARION
AI Drug Discovery Platform
BBB Predictor
Chemical Space
BBB Optimizer
Benchmarks
New Project
Dashboard
Dashboard
PLK4
Compounds
Compounds
(3 results)
Scaffold: CC(C1CCCC1)C1CCC(C2CCCC(CC3CCC...
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Green
Yellow
Leads
Scaffolds
SAR Heatmap
Matched Pairs
CSV
SDF
Sort: Platform Rank
Sort: RP-1664 Similarity
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Sort: BBB Probability
Sort: 3D PSA (lowest)
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Sort: MW
Rank
ID
Structure
Score
1664 Sim
Traffic
BBB
Vina
3D PSA
MDCK
TPSA
MW
HBD
SlogP
SA
984
BBP-21651
0.499
0.253
Yellow
0.64
-6.2
68
-4.7
61
366
2
4.5
2.9
1111
BBP-23214
0.492
0.284
Green
0.67
-
72
-4.7
74
385
2
4.0
3.1
1174
BBP-22252
0.489
0.287
Green
0.69
-
64
-4.7
74
386
2
4.3
3.3
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