ARION
AI Drug Discovery Platform
BBB Predictor
Chemical Space
BBB Optimizer
Benchmarks
New Project
Dashboard
Dashboard
PLK4
Compounds
Compounds
(3 results)
Scaffold: C1CCC(CC2CC(C3CC3)CC(CC3CCCC3)...
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Green
Yellow
Leads
Scaffolds
SAR Heatmap
Matched Pairs
CSV
SDF
Sort: Platform Rank
Sort: RP-1664 Similarity
Sort: Docking Score
Sort: Platform Score
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
755
BBP-28777
LEAD
0.511
0.446
Green
0.72
-
43
-4.7
73
397
2
4.0
3.0
868
BBP-28849
LEAD
0.506
0.446
Green
0.69
-
41
-4.7
73
397
2
4.0
2.9
2163
BBP-25858
0.440
0.422
Yellow
0.70
-
59
-4.7
83
379
2
4.3
3.2
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