Molecular Properties | |
SMILES: | COCc1cc(C)nc(SCc2ccccc2)c1C#N |
MW: | 284.1 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 45.91 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5133014595 |
MolPort: | MolPort-001-938-379 |
MAR-TRE-0fda4e82-23
0.730
MAR-TRE-a3327163-72
0.600
MAR-TRE-0fda4e82-69
0.597
MAR-TRE-6c5ef77a-18
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-60
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MAR-TRE-6c5ef77a-5
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MAR-TRE-6c5ef77a-9
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MAR-TRE-a3327163-18
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MAR-TRE-6c5ef77a-17
0.488
MAR-TRE-6c5ef77a-32
0.469
MAR-TRE-6c5ef77a-28
0.463
MAR-TRE-0fda4e82-8
0.463
MAR-TRE-14ce9fd6-77
0.457
MAR-TRE-0fda4e82-42
0.457
MAR-TRE-6c5ef77a-29
0.451
MAR-TRE-0fda4e82-53
0.435
MAR-TRE-14ce9fd6-50
0.431
MAR-TRE-1c920f6f-81
0.388
MAR-TRE-14ce9fd6-23
0.380
MAR-TRE-14ce9fd6-65
0.375
MAR-TRE-14ce9fd6-57
0.364
MAR-TRE-14ce9fd6-48
0.341
MAR-TRE-1c920f6f-70
0.337
MAR-TRE-14ce9fd6-41
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MAR-TRE-1c920f6f-53
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MAR-TRE-a3327163-8
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MAR-TRE-0fda4e82-30
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MAR-TRE-1c920f6f-94
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MAR-TRE-a3327163-67
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MAR-TRE-1c920f6f-96
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MAR-TRE-a3327163-21
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MAR-TRE-a3327163-25
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MAR-TRE-a3327163-11
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MAR-TRE-f5c2d31c-55
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MAR-TRE-a3327163-41
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MAR-TRE-a3327163-6
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MAR-TRE-a3327163-76
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MAR-TRE-1c920f6f-100
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MAR-TRE-14ce9fd6-90
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MAR-TRE-1c920f6f-29
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MAK-UNK-be3f299e-2
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MAR-TRE-1c920f6f-86
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MAR-TRE-0fda4e82-12
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MAR-TRE-14ce9fd6-73
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MAR-TRE-a3327163-90
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MAR-TRE-14ce9fd6-18
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-29
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MAR-TRE-1c920f6f-95
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MAR-TRE-a3327163-31
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MAR-TRE-14ce9fd6-93
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MAR-TRE-0fda4e82-10
0.250
MAR-TRE-6c5ef77a-94
0.250
MAR-TRE-a3327163-36
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MAR-TRE-a3327163-80
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MAR-TRE-a3327163-60
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MAR-TRE-a3327163-37
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MAR-TRE-14ce9fd6-83
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JAR-KUA-8c13982c-13
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MAR-TRE-a3327163-79
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MAR-TRE-0fda4e82-82
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MAR-TRE-1c920f6f-36
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MAR-TRE-14ce9fd6-95
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MAR-TRE-14ce9fd6-34
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MAR-TRE-0fda4e82-24
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MAR-TRE-14ce9fd6-28
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MAR-TRE-14ce9fd6-8
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MAR-TRE-14ce9fd6-58
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MAR-TRE-14ce9fd6-12
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MAT-POS-162a9720-7
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KEI-TRE-d5e2018a-3
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MAT-POS-b5746674-136
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MAR-TRE-0fda4e82-46
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MAR-TRE-14ce9fd6-40
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MAR-TRE-0fda4e82-19
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MAT-POS-b5746674-130
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MAR-TRE-0fda4e82-59
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MAR-TRE-14ce9fd6-25
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MAR-TRE-6c5ef77a-48
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MAR-TRE-14ce9fd6-9
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MAR-TRE-14ce9fd6-13
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MAR-TRE-0fda4e82-21
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MAR-TRE-14ce9fd6-42
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MAR-TRE-1c920f6f-87
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MAR-TRE-14ce9fd6-55
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MAR-TRE-14ce9fd6-52
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MAT-POS-b5746674-134
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MAR-TRE-0fda4e82-79
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MAR-TRE-f5c2d31c-6
0.219
MAR-TRE-6c5ef77a-47
0.219
MAR-TRE-0fda4e82-15
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