Molecular Properties | |
SMILES: | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 |
MW: | 340.1 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.87 |
cLogP: | 2.4 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1456365899 |
MolPort: | MolPort-000-918-972 |
MAR-TRE-1c920f6f-100
0.803
MAR-TRE-a3327163-88
0.725
MAR-TRE-1c920f6f-95
0.718
MAR-TRE-0fda4e82-31
0.577
MAR-TRE-a3327163-80
0.573
MAR-TRE-0fda4e82-30
0.569
MAR-TRE-a3327163-29
0.568
MAR-TRE-a3327163-11
0.563
MAR-TRE-6c5ef77a-32
0.500
MAR-TRE-1c920f6f-29
0.494
MAR-TRE-1c920f6f-94
0.494
MAR-TRE-a3327163-6
0.487
MAR-TRE-a3327163-8
0.486
MAR-TRE-6c5ef77a-74
0.475
MAR-TRE-a3327163-21
0.473
MAR-TRE-14ce9fd6-50
0.467
MAR-TRE-a3327163-25
0.467
MAR-TRE-a3327163-82
0.463
MAR-TRE-1c920f6f-81
0.457
MAR-TRE-1c920f6f-53
0.456
MAR-TRE-6c5ef77a-17
0.433
MAR-TRE-f5c2d31c-6
0.425
MAR-TRE-6c5ef77a-47
0.425
MAR-TRE-0fda4e82-59
0.416
MAR-TRE-0fda4e82-76
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MAR-TRE-0fda4e82-72
0.409
MAR-TRE-1c920f6f-70
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MAR-TRE-14ce9fd6-77
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MAR-TRE-a3327163-71
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MAR-TRE-1c920f6f-19
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MAR-TRE-14ce9fd6-7
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MAR-TRE-a3327163-32
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MAR-TRE-a3327163-43
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MAR-TRE-6c5ef77a-67
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MAR-TRE-0fda4e82-56
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MAR-TRE-1c920f6f-30
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MAR-TRE-a3327163-18
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MAR-TRE-14ce9fd6-27
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MAR-TRE-14ce9fd6-6
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MAR-TRE-6c5ef77a-28
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MAR-TRE-6c5ef77a-9
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MAR-TRE-0fda4e82-96
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MAR-TRE-0fda4e82-81
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MAR-TRE-6c5ef77a-29
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MAR-TRE-1c920f6f-47
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MAR-TRE-f5c2d31c-44
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MAR-TRE-14ce9fd6-57
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MAR-TRE-6c5ef77a-66
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KEN-ILL-f8fa3277-4
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MAR-TRE-1c920f6f-42
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MAR-TRE-6c5ef77a-64
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MAR-TRE-6c5ef77a-92
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MAR-TRE-1c920f6f-26
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MAR-TRE-0fda4e82-94
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MAR-TRE-a3327163-30
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MAR-TRE-0fda4e82-14
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MAR-TRE-14ce9fd6-43
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MAR-TRE-14ce9fd6-23
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MAR-TRE-f5c2d31c-17
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MAR-TRE-6c5ef77a-16
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MAR-TRE-6c5ef77a-58
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MAR-TRE-6c5ef77a-18
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MAR-TRE-6c5ef77a-35
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MAR-TRE-a3327163-37
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MAR-TRE-6c5ef77a-68
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MAR-TRE-6c5ef77a-12
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MAR-TRE-0fda4e82-47
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MAR-TRE-a3327163-42
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MAR-TRE-0fda4e82-42
0.330
MAR-TRE-a3327163-24
0.329
MAR-TRE-6c5ef77a-55
0.327
MAR-TRE-6c5ef77a-26
0.326
MAR-TRE-0fda4e82-11
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MAR-TRE-0fda4e82-63
0.323
MAR-TRE-6c5ef77a-51
0.323
MAR-TRE-14ce9fd6-37
0.323
MAR-TRE-6c5ef77a-46
0.322
MAR-TRE-0fda4e82-84
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MAR-TRE-f5c2d31c-97
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MAR-TRE-0fda4e82-82
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MAR-TRE-1c920f6f-75
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MAR-TRE-6c5ef77a-45
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MAR-TRE-6c5ef77a-14
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MAR-TRE-1c920f6f-44
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MAR-TRE-1c920f6f-65
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MAR-TRE-0fda4e82-53
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MAR-TRE-0fda4e82-68
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MAR-TRE-6c5ef77a-33
0.315
MAR-TRE-f5c2d31c-10
0.313
MAR-TRE-6c5ef77a-24
0.313
MAR-TRE-0fda4e82-36
0.313
MAR-TRE-0fda4e82-100
0.312
MAR-TRE-14ce9fd6-78
0.312
MAR-TRE-6c5ef77a-96
0.309
MAR-TRE-0fda4e82-29
0.309
MAR-TRE-a3327163-60
0.304
MAR-TRE-6c5ef77a-5
0.303
MAR-TRE-a3327163-15
0.303