Molecular Properties | |
SMILES: | Cn1ccnc1SCC(=O)Nc1sccc1C#N |
MW: | 278.03 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 70.71 |
cLogP: | 2.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6013306343 |
MolPort: | MolPort-002-106-887 |
MAR-TRE-a3327163-50
0.580
MAR-TRE-a3327163-20
0.556
MAR-TRE-a3327163-42
0.551
MAR-TRE-a3327163-35
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MAR-TRE-a3327163-15
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MAR-TRE-6c5ef77a-33
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MAR-TRE-6c5ef77a-43
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MAR-TRE-6c5ef77a-26
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MAR-TRE-6c5ef77a-20
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MAR-TRE-6c5ef77a-14
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MAR-TRE-6c5ef77a-67
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MAR-TRE-6c5ef77a-68
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MAR-TRE-0fda4e82-63
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MAR-TRE-0fda4e82-38
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MAR-TRE-14ce9fd6-36
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MAR-TRE-6c5ef77a-22
0.333
MAR-TRE-0fda4e82-89
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MAR-TRE-0fda4e82-90
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MAR-TRE-6c5ef77a-96
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MAR-TRE-1c920f6f-3
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MAR-TRE-a3327163-29
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MAR-TRE-a3327163-53
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MAR-TRE-1c920f6f-42
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MAR-TRE-1c920f6f-74
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MAR-TRE-1c920f6f-37
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MAR-TRE-a3327163-34
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MAR-TRE-1c920f6f-49
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MAR-TRE-1c920f6f-46
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MAR-TRE-14ce9fd6-43
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MAR-TRE-1c920f6f-47
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MAR-TRE-1c920f6f-4
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MAR-TRE-6c5ef77a-58
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MAR-TRE-a3327163-82
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MAR-TRE-0fda4e82-47
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MAR-TRE-0fda4e82-76
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MAR-TRE-14ce9fd6-27
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MAR-TRE-6c5ef77a-66
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MAR-TRE-0fda4e82-56
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MAR-TRE-fd17a9b8-43
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MAR-TRE-6c5ef77a-64
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MAR-TRE-6c5ef77a-55
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MAR-TRE-0fda4e82-20
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MAR-TRE-1c920f6f-26
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MAR-TRE-6c5ef77a-46
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MAR-TRE-1c920f6f-5
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MAR-TRE-6c5ef77a-40
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MAR-TRE-6c5ef77a-51
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MAR-TRE-0fda4e82-29
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MAR-TRE-1c920f6f-45
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MAR-TRE-d0525fbf-93
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MAR-TRE-1c920f6f-60
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MAR-TRE-a3327163-43
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MAR-TRE-a3327163-32
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MAR-TRE-1c920f6f-57
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MAR-TRE-a3327163-71
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MAR-TRE-1c920f6f-51
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MAR-TRE-0fda4e82-43
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MAR-TRE-a3327163-80
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MAR-TRE-0fda4e82-18
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MAR-TRE-1c920f6f-10
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MAR-TRE-1c920f6f-100
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MAR-TRE-a3327163-88
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MAR-TRE-6c5ef77a-16
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MAR-TRE-a3327163-92
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MAR-TRE-0fda4e82-68
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MAR-TRE-74c6519b-35
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MAR-TRE-0fda4e82-11
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MAR-TRE-a3327163-46
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MAR-TRE-6c5ef77a-35
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MAR-TRE-0fda4e82-36
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MAR-TRE-6c5ef77a-29
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MAR-TRE-1c920f6f-21
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MAR-TRE-a3327163-24
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MAR-TRE-14ce9fd6-67
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MAR-TRE-6c5ef77a-61
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MAR-TRE-7f7bb9f0-23
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MAR-TRE-0fda4e82-31
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MAR-TRE-0fda4e82-67
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MAR-TRE-f5c2d31c-10
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MAR-TRE-f5c2d31c-67
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MAR-TRE-14ce9fd6-83
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MAR-TRE-6c5ef77a-28
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MAR-TRE-9c797165-27
0.253
MAR-TRE-fd17a9b8-23
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MAR-TRE-0fda4e82-60
0.250
MAR-TRE-1c920f6f-20
0.250
MAR-TRE-a3327163-2
0.250
MAR-TRE-74c6519b-44
0.248
MAT-POS-ea426761-87
0.247