Molecular Properties | |
SMILES: | COCc1cc(C)nc(SCC(=O)NC(C)(C)C)c1C#N |
MW: | 307.14 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.01 |
cLogP: | 2.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9801723711 |
MolPort: | MolPort-001-967-488 |
MAR-TRE-6c5ef77a-18
0.710
MAR-TRE-6c5ef77a-28
0.658
MAR-TRE-0fda4e82-42
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MAR-TRE-6c5ef77a-29
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MAR-TRE-6c5ef77a-32
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-5
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MAR-TRE-a3327163-18
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MAR-TRE-6c5ef77a-17
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MAR-TRE-0fda4e82-53
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MAR-TRE-0fda4e82-69
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MAR-TRE-0fda4e82-8
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MAR-TRE-6c5ef77a-60
0.516
MAR-TRE-1c920f6f-14
0.507
MAR-TRE-a3327163-72
0.487
MAR-TRE-0fda4e82-23
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MAR-TRE-a3327163-8
0.408
MAR-TRE-a3327163-11
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MAR-TRE-6c5ef77a-27
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MAR-TRE-a3327163-88
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MAR-TRE-a3327163-29
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-6
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MAR-TRE-0fda4e82-30
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MAR-TRE-a3327163-25
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MAR-TRE-a3327163-80
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MAR-TRE-1c920f6f-100
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MAR-TRE-a3327163-21
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MAR-TRE-1c920f6f-95
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MAR-TRE-1c920f6f-94
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MAR-TRE-1c920f6f-81
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MAR-TRE-1c920f6f-53
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MAR-TRE-a3327163-24
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MAR-TRE-14ce9fd6-50
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MAR-TRE-1c920f6f-29
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MAR-TRE-0fda4e82-82
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MAR-TRE-0fda4e82-19
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MAR-TRE-14ce9fd6-77
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MAR-TRE-0fda4e82-59
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MAR-TRE-a3327163-37
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MAR-TRE-a3327163-60
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MAR-TRE-6c5ef77a-71
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MAR-TRE-0fda4e82-21
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MAR-TRE-6c5ef77a-48
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MAR-TRE-6c5ef77a-74
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MAR-TRE-0fda4e82-22
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MAR-TRE-14ce9fd6-43
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MAR-TRE-6c5ef77a-14
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MAR-TRE-6c5ef77a-31
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MAR-TRE-6c5ef77a-7
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MAR-TRE-14ce9fd6-2
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MAR-TRE-a3327163-41
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MAR-TRE-1c920f6f-13
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MAR-TRE-1c920f6f-70
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MAR-TRE-1c920f6f-11
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MAR-TRE-a3327163-71
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MAR-TRE-6c5ef77a-3
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MAR-TRE-a3327163-79
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MAR-TRE-0fda4e82-68
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MAR-TRE-a3327163-7
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MAR-TRE-0fda4e82-60
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MAR-TRE-14ce9fd6-23
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MAR-TRE-14ce9fd6-86
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NIC-UNK-64545e17-1
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MAR-TRE-6c5ef77a-94
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MAR-TRE-14ce9fd6-57
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MAR-TRE-6c5ef77a-37
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MAR-TRE-0fda4e82-100
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MAR-TRE-1c920f6f-96
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MAR-TRE-1c920f6f-17
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MAR-TRE-1c920f6f-1
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MAR-TRE-6c5ef77a-16
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MAR-TRE-6c5ef77a-67
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MAR-TRE-a3327163-1
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MAR-TRE-6c5ef77a-23
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MAR-TRE-0fda4e82-36
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MAR-TRE-6c5ef77a-24
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MAR-TRE-a3327163-2
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MAR-TRE-1c920f6f-15
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MAR-TRE-fd17a9b8-23
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MAR-TRE-0fda4e82-6
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MAR-TRE-14ce9fd6-19
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MAR-TRE-1c920f6f-38
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MAT-POS-b5746674-125
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MAR-TRE-a3327163-5
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MAR-TRE-a3327163-38
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MAR-TRE-0fda4e82-94
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MAR-TRE-1c920f6f-25
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MAT-POS-044491d2-7
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MAR-TRE-0fda4e82-96
0.240
MAR-TRE-1c920f6f-87
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