ARION
AI Drug Discovery Platform
BBB Predictor
Chemical Space
BBB Optimizer
Benchmarks
New Project
Dashboard
Dashboard
PLK4
Compounds
Compounds
(3 results)
Scaffold: C1CCC(CC2CCC(C3CCCC3)CC2CC2CCC...
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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)
Sort: MDCK Perm (best)
Sort: MW
Rank
ID
Structure
Score
1664 Sim
Traffic
BBB
Vina
3D PSA
MDCK
TPSA
MW
HBD
SlogP
SA
708
BBP-22793
0.513
0.348
Green
0.79
-
64
-4.7
73
395
2
3.9
3.4
824
BBP-22781
0.508
0.356
Green
0.77
-
43
-4.7
60
398
2
4.3
3.4
2982
BBP-22948
0.388
0.367
Red
0.80
-
45
-4.7
60
394
2
4.5
3.4
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