MolecularAI
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Compound Library

Browse and analyze generated molecular candidates

Ibuprofen-like
Score: 0.94
MOL-8723•From EXP-2024-002
CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O
Solubility
89%
Clearance
82%
Toxicity
91%
Synthesis
88%
Caffeine analog
Score: 0.91
MOL-8845•From EXP-2024-001
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Solubility
95%
Clearance
78%
Toxicity
88%
Synthesis
92%
Celecoxib variant
Score: 0.89
MOL-9012•From EXP-2024-002
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Solubility
76%
Clearance
85%
Toxicity
94%
Synthesis
81%
Acetaminophen-like
Score: 0.87
MOL-9134•From EXP-2023-089
CC(=O)Nc1ccc(cc1)O
Solubility
92%
Clearance
79%
Toxicity
89%
Synthesis
91%
Atropine analog
Score: 0.85
MOL-9256•From EXP-2024-003
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
Solubility
84%
Clearance
81%
Toxicity
86%
Synthesis
79%