ARION
AI Drug Discovery Platform
BBB Predictor
Chemical Space
BBB Optimizer
Benchmarks
New Project
Dashboard
Dashboard
PLK4
Compounds
Compounds
(3 results)
Scaffold: CC(C1CCCCC1)C1CCC(C2CCC(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
412
BBP-20217
0.527
0.330
Yellow
0.72
-6.7
90
-4.7
79
414
2
3.8
2.8
959
BBP-23063
0.500
0.308
Green
0.65
-
78
-4.7
79
400
2
3.5
2.7
1141
BBP-20363
0.491
0.287
Yellow
0.55
-6.8
81
-4.7
79
435
2
4.1
2.9
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