Molecular Properties | |
SMILES: | CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1 |
MW: | 249.09 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.77 |
cLogP: | 1.73 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7566765888 |
MolPort: | MolPort-002-541-682 |
MAR-TRE-a3327163-37
0.593
MAR-TRE-6c5ef77a-31
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MAR-TRE-14ce9fd6-15
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MAR-TRE-0fda4e82-30
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MAR-TRE-14ce9fd6-22
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MAR-TRE-1c920f6f-16
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MAR-TRE-0fda4e82-84
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MAR-TRE-0fda4e82-22
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MAR-TRE-14ce9fd6-65
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MAR-TRE-0fda4e82-82
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MAR-TRE-1c920f6f-25
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MAR-TRE-14ce9fd6-48
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MAR-TRE-a3327163-5
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MAR-TRE-f5c2d31c-30
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MAR-TRE-fd17a9b8-23
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MAR-TRE-14ce9fd6-70
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MAR-TRE-6c5ef77a-26
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MAK-UNK-9955b1f3-10
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MAR-TRE-6c5ef77a-48
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MAR-TRE-0fda4e82-63
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MAR-TRE-0fda4e82-77
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MAR-TRE-1c920f6f-17
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MAR-TRE-a3327163-21
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MAR-TRE-0fda4e82-31
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MAR-TRE-14ce9fd6-19
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MAR-TRE-14ce9fd6-83
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MAR-TRE-6c5ef77a-5
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MAR-TRE-a3327163-53
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MAR-TRE-1c920f6f-96
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MAR-TRE-0fda4e82-12
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MAR-TRE-a3327163-43
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MAR-TRE-1c920f6f-3
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MAR-TRE-1c920f6f-47
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MAR-TRE-a3327163-8
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MAR-TRE-14ce9fd6-6
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MAR-TRE-0fda4e82-21
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MAR-TRE-0fda4e82-90
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MAR-TRE-1c920f6f-26
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MAR-TRE-a3327163-20
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MAR-TRE-6c5ef77a-9
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MAR-TRE-a3327163-42
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MAR-TRE-6c5ef77a-68
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MAR-TRE-6c5ef77a-96
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