Molecular Properties | |
SMILES: | C=COC(=O)CSc1nc(C)cc(C)c1C#N |
MW: | 248.06 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.98 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6331453053 |
MolPort: | MolPort-000-922-543 |
acyclic C=C-O
Filter10_Terminal_vinyl
acyclic C=C-O
Ester
MAR-TRE-a3327163-21
0.650
MAR-TRE-0fda4e82-30
0.614
MAR-TRE-a3327163-8
0.587
MAR-TRE-1c920f6f-81
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MAR-TRE-a3327163-6
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MAR-TRE-a3327163-11
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MAR-TRE-1c920f6f-94
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MAR-TRE-1c920f6f-29
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MAR-TRE-1c920f6f-53
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MAR-TRE-a3327163-88
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MAR-TRE-a3327163-29
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MAR-TRE-a3327163-80
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MAR-TRE-1c920f6f-100
0.473
MAR-TRE-14ce9fd6-50
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MAR-TRE-1c920f6f-20
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MAR-TRE-1c920f6f-95
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MAR-TRE-a3327163-41
0.437
MAR-TRE-14ce9fd6-77
0.435
MAR-TRE-14ce9fd6-57
0.417
MAR-TRE-6c5ef77a-5
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MAR-TRE-6c5ef77a-18
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MAR-TRE-1c920f6f-70
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MAR-TRE-0fda4e82-19
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MAR-TRE-14ce9fd6-23
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MAR-TRE-6c5ef77a-9
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MAR-TRE-a3327163-60
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MAR-TRE-a3327163-10
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MAR-TRE-14ce9fd6-53
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MAR-TRE-0fda4e82-69
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MAR-TRE-a3327163-18
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MAR-TRE-0fda4e82-8
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MAR-TRE-6c5ef77a-28
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MAR-TRE-0fda4e82-22
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MAR-TRE-0fda4e82-21
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MAR-TRE-0fda4e82-42
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MAR-TRE-6c5ef77a-29
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MAR-TRE-a3327163-24
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-32
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MAR-TRE-a3327163-37
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MAR-TRE-1c920f6f-15
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MAR-TRE-0fda4e82-53
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MAR-TRE-6c5ef77a-17
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MAR-TRE-6c5ef77a-60
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MAR-TRE-6c5ef77a-71
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MAR-TRE-1c920f6f-96
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MAR-TRE-1c920f6f-17
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MAR-TRE-0fda4e82-6
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MAR-TRE-1c920f6f-56
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MAR-TRE-14ce9fd6-2
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NIC-UNK-64545e17-1
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MAR-TRE-0fda4e82-59
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MAR-TRE-1c920f6f-14
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MAR-TRE-6c5ef77a-48
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MAR-TRE-a3327163-7
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MAR-TRE-a3327163-72
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MAR-TRE-a3327163-79
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MAR-TRE-0fda4e82-82
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MAR-TRE-6c5ef77a-31
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MAR-TRE-a3327163-82
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MAR-TRE-0fda4e82-23
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LON-WEI-5e7d1b3e-73
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LON-WEI-4d77710c-73
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MAR-TRE-1c920f6f-13
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MAR-TRE-1c920f6f-11
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MAR-TRE-6c5ef77a-68
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MAR-TRE-0fda4e82-13
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MAR-TRE-6c5ef77a-10
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MAR-TRE-6c5ef77a-7
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MAR-TRE-14ce9fd6-65
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MAR-TRE-1c920f6f-25
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MAR-TRE-6c5ef77a-94
0.260
MAR-TRE-6c5ef77a-37
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MAR-TRE-14ce9fd6-4
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MAR-TRE-14ce9fd6-22
0.256
MAR-TRE-a3327163-17
0.256
MAR-TRE-6c5ef77a-23
0.253
MAR-TRE-a3327163-1
0.253
MAR-TRE-6c5ef77a-47
0.253
MAR-TRE-f5c2d31c-6
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MAR-TRE-1c920f6f-58
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MAR-TRE-1c920f6f-38
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MAR-TRE-14ce9fd6-19
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MAR-TRE-6c5ef77a-14
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MAR-TRE-0fda4e82-60
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MAR-TRE-14ce9fd6-76
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MAR-TRE-a3327163-38
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MAR-TRE-14ce9fd6-20
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MAR-TRE-a3327163-12
0.247
MAR-TRE-6c5ef77a-99
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MAR-TRE-6c5ef77a-15
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MAR-TRE-14ce9fd6-86
0.244
MAR-TRE-6c5ef77a-96
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MAR-TRE-1c920f6f-30
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MAR-TRE-a3327163-76
0.242
MAR-TRE-6c5ef77a-74
0.241
AAR-RCN-8752a6eb-1
0.241
MAR-TRE-14ce9fd6-70
0.241
MAR-TRE-0fda4e82-68
0.240