Molecular Properties | |
SMILES: | Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)O)cc2)n1 |
MW: | 298.08 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.98 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4395003151 |
MolPort: | MolPort-000-710-143 |
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0.678
MAR-TRE-14ce9fd6-65
0.600
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0.569
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MAR-TRE-0fda4e82-30
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MAR-TRE-1c920f6f-94
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MAR-TRE-14ce9fd6-48
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MAR-TRE-a3327163-11
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MAR-TRE-1c920f6f-81
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MAR-TRE-1c920f6f-53
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MAR-TRE-a3327163-21
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MAR-TRE-a3327163-8
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MAR-TRE-a3327163-25
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-29
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MAR-TRE-a3327163-6
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MAR-TRE-a3327163-41
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MAR-TRE-1c920f6f-70
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MAR-TRE-a3327163-88
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MAR-TRE-0fda4e82-23
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MAR-TRE-1c920f6f-14
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MAR-TRE-1c920f6f-95
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MAR-TRE-6c5ef77a-18
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MAR-TRE-14ce9fd6-53
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MAR-TRE-a3327163-24
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MAR-TRE-a3327163-79
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MAR-TRE-6c5ef77a-9
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MAR-TRE-6c5ef77a-5
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LON-WEI-5e7d1b3e-73
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MAR-TRE-0fda4e82-69
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MAR-TRE-0fda4e82-8
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MAR-TRE-6c5ef77a-17
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MAR-TRE-1c920f6f-31
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MAR-TRE-0fda4e82-53
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MAR-TRE-6c5ef77a-31
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MAR-TRE-1c920f6f-25
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MAR-TRE-14ce9fd6-2
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MAR-TRE-14ce9fd6-86
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MAR-TRE-6c5ef77a-94
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MAR-TRE-1c920f6f-61
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MAR-TRE-6c5ef77a-89
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MAR-TRE-14ce9fd6-4
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MAR-TRE-14ce9fd6-70
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MAR-TRE-1c920f6f-17
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MAR-TRE-0fda4e82-63
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MAR-TRE-0fda4e82-19
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MAR-TRE-14ce9fd6-63
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MAR-TRE-0fda4e82-59
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MAR-TRE-1c920f6f-86
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MAR-TRE-0fda4e82-77
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MAR-TRE-14ce9fd6-20
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MAR-TRE-6c5ef77a-7
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