Molecular Properties | |
SMILES: | Cc1cc(C)c(C#N)c(SCCN2CCOCC2)n1 |
MW: | 277.12 |
Fraction sp3: | 0.57 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 49.15 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2126309472 |
MolPort: | MolPort-002-560-706 |
MAR-TRE-0fda4e82-30
0.469
MAR-TRE-a3327163-8
0.437
MAR-TRE-a3327163-25
0.437
MAR-TRE-14ce9fd6-50
0.437
MAR-TRE-a3327163-21
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MAR-TRE-14ce9fd6-77
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MAR-TRE-14ce9fd6-23
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MAR-TRE-a3327163-6
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MAR-TRE-a3327163-11
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MAR-TRE-1c920f6f-81
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MAR-TRE-14ce9fd6-57
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MAR-TRE-1c920f6f-29
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MAR-TRE-1c920f6f-53
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MAR-TRE-1c920f6f-94
0.390
MAR-TRE-1c920f6f-100
0.388
MAR-TRE-a3327163-29
0.385
AAR-POS-0daf6b7e-28
0.379
MAR-TRE-a3327163-80
0.375
MAR-TRE-1c920f6f-95
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MAR-TRE-a3327163-88
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MAR-TRE-1c920f6f-20
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MAR-TRE-1c920f6f-70
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MAR-TRE-0fda4e82-69
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MAR-TRE-14ce9fd6-53
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LON-WEI-4d77710c-73
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LON-WEI-5e7d1b3e-73
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MAR-TRE-6c5ef77a-18
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MAR-TRE-a3327163-98
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MAR-TRE-0fda4e82-42
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MAR-TRE-a3327163-60
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MAR-TRE-1c920f6f-14
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MAR-LAB-ca4662a6-5
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MAR-TRE-a3327163-72
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MAR-TRE-d3c2bf0e-47
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MAR-TRE-a3327163-23
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MAR-TRE-0fda4e82-8
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MAR-TRE-a3327163-4
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MAR-TRE-0fda4e82-23
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MAR-TRE-6c5ef77a-5
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-9
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MAR-TRE-f5c2d31c-68
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MAR-TRE-a3327163-79
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MAR-TRE-6c5ef77a-60
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MAT-POS-b5746674-126
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MAR-TRE-14ce9fd6-14
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MAR-TRE-0fda4e82-53
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MAR-TRE-6c5ef77a-28
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BEN-DND-93268d01-10
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MAR-TRE-0fda4e82-46
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MAR-TRE-6c5ef77a-21
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MAR-TRE-6c5ef77a-38
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MAR-TRE-d3c2bf0e-64
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MAR-TRE-6c5ef77a-29
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MAR-TRE-6c5ef77a-32
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MAR-TRE-14ce9fd6-65
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MAR-TRE-a3327163-18
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MAR-TRE-6c5ef77a-27
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MAR-TRE-1c920f6f-96
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MAR-TRE-0fda4e82-37
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MAR-TRE-a3327163-24
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JOR-UNI-61e7b1d5-16
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MAR-TRE-6c5ef77a-17
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DAR-DIA-6a49afbe-5
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MAR-TRE-a3327163-37
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AAR-POS-0daf6b7e-29
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JOH-IMS-1436231f-6
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MAR-TRE-fd17a9b8-36
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MAR-TRE-14ce9fd6-11
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MAR-TRE-fd17a9b8-68
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JOR-UNI-61e7b1d5-17
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MAR-TRE-14ce9fd6-80
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MAR-TRE-14ce9fd6-76
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MAR-TRE-c317dd82-23
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MAR-TRE-0fda4e82-21
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MAR-TRE-0fda4e82-22
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MAR-TRE-6c5ef77a-83
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MAR-TRE-14ce9fd6-81
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MAR-TRE-14ce9fd6-2
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MAR-TRE-0fda4e82-79
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MAR-TRE-14ce9fd6-86
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MAR-TRE-dab8f6ea-27
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SAD-SAT-7d5528d9-1
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MAR-TRE-6c5ef77a-90
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SAD-SAT-7d5528d9-16
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MAR-TRE-14ce9fd6-70
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DAR-DIA-6a49afbe-6
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MAK-UNK-9955b1f3-3
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MAK-UNK-be3f299e-7
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BAR-COM-4e090d3a-45
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SEA-TRI-fac72a44-1
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SAD-SAT-24589cd1-6
0.218
MAR-TRE-a3327163-82
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MAR-TRE-a3327163-38
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SEA-TRI-078a8df3-1
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JOR-UNI-61e7b1d5-3
0.216
MAR-TRE-0fda4e82-19
0.215
MAR-TRE-c317dd82-69
0.215
MAR-TRE-fd17a9b8-72
0.214
JOH-UNI-27ac80fd-12
0.213