Molecular Properties | |
SMILES: | Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)no1 |
MW: | 342.12 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.81 |
cLogP: | 3.25 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3128816041 |
MolPort: | MolPort-000-922-346 |
MAR-TRE-1c920f6f-58
0.616
MAR-TRE-14ce9fd6-6
0.609
MAR-TRE-14ce9fd6-22
0.605
MAR-TRE-1c920f6f-15
0.593
MAR-TRE-1c920f6f-11
0.578
MAR-TRE-1c920f6f-56
0.573
MAR-TRE-14ce9fd6-19
0.566
MAR-TRE-0fda4e82-36
0.562
MAR-TRE-1c920f6f-25
0.558
MAR-TRE-14ce9fd6-7
0.551
MAR-TRE-14ce9fd6-20
0.538
MAR-TRE-1c920f6f-17
0.530
MAR-TRE-0fda4e82-68
0.516
MAR-TRE-1c920f6f-19
0.516
MAR-TRE-1c920f6f-38
0.487
MAR-TRE-14ce9fd6-5
0.476
MAR-TRE-14ce9fd6-91
0.474
MAR-TRE-0fda4e82-13
0.471
MAR-TRE-14ce9fd6-76
0.469
MAR-TRE-14ce9fd6-12
0.460
MAR-TRE-14ce9fd6-81
0.446
MAR-TRE-14ce9fd6-96
0.444
MAR-TRE-14ce9fd6-11
0.442
MAR-TRE-14ce9fd6-42
0.440
MAR-TRE-14ce9fd6-79
0.439
MAR-TRE-14ce9fd6-93
0.432
MAR-TRE-14ce9fd6-14
0.427
MAR-TRE-14ce9fd6-80
0.400
MAR-TRE-14ce9fd6-92
0.398
MAR-TRE-6c5ef77a-27
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MAR-TRE-14ce9fd6-75
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MAR-TRE-14ce9fd6-18
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MAR-TRE-14ce9fd6-46
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MAR-TRE-1c920f6f-13
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MAR-TRE-a3327163-82
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MAR-TRE-14ce9fd6-90
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MAR-TRE-14ce9fd6-40
0.340
MAR-TRE-1c920f6f-16
0.337
MAR-TRE-0fda4e82-31
0.320
MAR-TRE-6c5ef77a-68
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MAR-TRE-1c920f6f-100
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MAR-TRE-1c920f6f-95
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MAR-TRE-6c5ef77a-48
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MAR-TRE-a3327163-71
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MAR-TRE-1c920f6f-68
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MAR-TRE-a3327163-88
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MAR-TRE-d0525fbf-93
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-29
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MAR-TRE-a3327163-80
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MAR-TRE-6c5ef77a-31
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MAR-TRE-6c5ef77a-14
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MAR-TRE-a3327163-24
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MAR-TRE-14ce9fd6-15
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MAR-TRE-0fda4e82-89
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MAR-TRE-6c5ef77a-29
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MAR-TRE-a3327163-18
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MAR-TRE-0fda4e82-43
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MAR-TRE-1c920f6f-4
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MAR-TRE-0fda4e82-63
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MAR-TRE-6c5ef77a-96
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MAR-TRE-14ce9fd6-43
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MAR-TRE-6c5ef77a-20
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MAR-TRE-6c5ef77a-67
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MAR-TRE-6c5ef77a-28
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MAR-TRE-1c920f6f-85
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MAR-TRE-14ce9fd6-27
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MAR-TRE-fd17a9b8-23
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MAR-TRE-0fda4e82-42
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MAR-TRE-0fda4e82-46
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MAR-TRE-1c920f6f-12
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MAR-TRE-a3327163-11
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MAR-TRE-6c5ef77a-32
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MAR-TRE-0fda4e82-90
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MAR-TRE-1c920f6f-26
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MAR-TRE-a3327163-37
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MAR-TRE-14ce9fd6-70
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MAR-TRE-6c5ef77a-71
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MAR-TRE-6c5ef77a-26
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MAR-TRE-1c920f6f-74
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MAR-TRE-1c920f6f-30
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MAR-TRE-1c920f6f-49
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MAR-TRE-14ce9fd6-37
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MAR-TRE-6c5ef77a-17
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MAR-TRE-1c920f6f-3
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MAR-TRE-0fda4e82-76
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MAR-TRE-6c5ef77a-55
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MAR-TRE-fd17a9b8-55
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MAR-TRE-6c5ef77a-33
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MAR-TRE-6c5ef77a-64
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MAR-TRE-4f781e27-98
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MAR-TRE-1c920f6f-37
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MAR-TRE-6c5ef77a-9
0.248
MAR-TRE-a3327163-20
0.248
MAR-TRE-14ce9fd6-86
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MAR-TRE-0fda4e82-30
0.247
MAR-TRE-14ce9fd6-36
0.245
LON-WEI-5e7d1b3e-9
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LON-WEI-4d77710c-9
0.245
MAR-TRE-1c920f6f-42
0.245