Molecular Properties | |
SMILES: | Cc1ccc(C#N)c(SCc2ccc(C(=O)O)cc2)n1 |
MW: | 284.06 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.98 |
cLogP: | 3.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5462976480 |
MolPort: | MolPort-000-919-135 |
MAR-TRE-14ce9fd6-48
0.609
MAR-TRE-14ce9fd6-50
0.600
MAR-TRE-a3327163-24
0.566
MAR-TRE-a3327163-37
0.527
MAR-TRE-0fda4e82-82
0.423
MAR-TRE-1c920f6f-86
0.397
MAR-TRE-0fda4e82-23
0.378
MAR-TRE-14ce9fd6-77
0.377
MAR-TRE-1c920f6f-14
0.375
MAR-TRE-14ce9fd6-4
0.343
MAR-TRE-14ce9fd6-23
0.342
MAR-TRE-14ce9fd6-83
0.341
MAR-TRE-6c5ef77a-18
0.319
MAR-TRE-1c920f6f-94
0.312
MAR-TRE-14ce9fd6-57
0.307
MAR-TRE-6c5ef77a-48
0.300
MAR-TRE-14ce9fd6-12
0.300
MAR-TRE-14ce9fd6-52
0.299
MAR-TRE-14ce9fd6-55
0.299
MAR-TRE-1c920f6f-29
0.295
MAR-TRE-14ce9fd6-18
0.295
MAR-TRE-0fda4e82-30
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MAR-TRE-0fda4e82-77
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MAR-TRE-6c5ef77a-89
0.292
MAR-TRE-6c5ef77a-9
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MAR-TRE-0fda4e82-12
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MAR-TRE-a3327163-5
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-71
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MAR-TRE-1c920f6f-96
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MAR-TRE-14ce9fd6-62
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MAR-TRE-1c920f6f-81
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MAR-TRE-6c5ef77a-60
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MAR-TRE-1c920f6f-100
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MAR-TRE-6c5ef77a-31
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-11
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MAR-TRE-6c5ef77a-5
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MAR-TRE-14ce9fd6-41
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MAR-TRE-14ce9fd6-86
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MAR-TRE-a3327163-38
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MAR-TRE-a3327163-20
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MAR-TRE-14ce9fd6-70
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MAR-TRE-0fda4e82-63
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MAR-TRE-a3327163-21
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MAR-TRE-a3327163-90
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MAR-TRE-a3327163-1
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MAR-TRE-0fda4e82-21
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MAR-TRE-0fda4e82-8
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MAR-TRE-14ce9fd6-63
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MAR-TRE-6c5ef77a-17
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MAR-TRE-a3327163-8
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MAR-TRE-a3327163-25
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MAR-TRE-14ce9fd6-19
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MAR-TRE-14ce9fd6-47
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MAR-TRE-1c920f6f-53
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MAR-TRE-14ce9fd6-35
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MAR-TRE-6c5ef77a-14
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MAR-TRE-fd17a9b8-23
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MAR-TRE-d3c2bf0e-59
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MAR-TRE-0fda4e82-46
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MAR-TRE-0fda4e82-69
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MAR-TRE-1c920f6f-25
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MAR-TRE-74c6519b-23
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MAR-TRE-a3327163-29
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MAR-TRE-6c5ef77a-93
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MAR-TRE-6c5ef77a-32
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MAR-TRE-14ce9fd6-42
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MAR-TRE-1c920f6f-61
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MAR-TRE-a3327163-18
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MAR-TRE-14ce9fd6-93
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MAR-TRE-14ce9fd6-29
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MAR-TRE-a3327163-60
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MAR-TRE-a3327163-6
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MAR-TRE-a3327163-67
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MAR-TRE-1c920f6f-17
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MAR-TRE-0fda4e82-31
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MAR-TRE-f5c2d31c-73
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MAR-TRE-6c5ef77a-28
0.250
MAR-TRE-a3327163-72
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MAR-TRE-a3327163-79
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MAR-TRE-a3327163-88
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MAR-TRE-1c920f6f-10
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MAR-TRE-14ce9fd6-21
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MAR-TRE-14ce9fd6-43
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MAR-TRE-14ce9fd6-90
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MAR-TRE-0fda4e82-42
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MAR-TRE-0fda4e82-76
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MAR-TRE-1c920f6f-15
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MAR-TRE-a3327163-82
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MAR-TRE-14ce9fd6-33
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MAR-TRE-0fda4e82-22
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GIA-UNK-a33ae3bd-1
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MAR-TRE-6c5ef77a-29
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MAT-POS-b5746674-117
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MAR-TRE-14ce9fd6-13
0.244
MAR-TRE-14ce9fd6-15
0.244
MAR-TRE-14ce9fd6-20
0.244
MAR-TRE-6c5ef77a-7
0.243
MAR-TRE-1c920f6f-55
0.243