Molecular Properties | |
SMILES: | N#Cc1cc2c(nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CCCCC2 |
MW: | 416.1 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.94 |
cLogP: | 2.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3464562739 |
MolPort: | MolPort-001-963-342 |
MAR-TRE-14ce9fd6-7
0.918
MAR-TRE-1c920f6f-19
0.867
MAR-TRE-14ce9fd6-22
0.610
MAR-TRE-1c920f6f-1
0.609
MAR-TRE-1c920f6f-58
0.602
MAR-TRE-1c920f6f-15
0.560
MAR-TRE-14ce9fd6-19
0.551
MAR-TRE-1c920f6f-11
0.547
MAR-TRE-14ce9fd6-20
0.544
MAR-TRE-1c920f6f-56
0.541
MAR-TRE-0fda4e82-36
0.533
MAR-TRE-1c920f6f-95
0.529
MAR-TRE-1c920f6f-25
0.525
MAR-TRE-1c920f6f-17
0.500
MAR-TRE-1c920f6f-38
0.494
MAR-TRE-0fda4e82-68
0.489
MAR-TRE-14ce9fd6-12
0.466
MAR-TRE-14ce9fd6-11
0.465
MAR-TRE-14ce9fd6-5
0.447
MAR-TRE-14ce9fd6-42
0.446
MAR-TRE-0fda4e82-13
0.444
MAR-TRE-14ce9fd6-91
0.443
MAR-TRE-14ce9fd6-76
0.440
MAR-TRE-14ce9fd6-96
0.434
MAR-TRE-14ce9fd6-79
0.429
MAR-TRE-14ce9fd6-93
0.423
MAR-TRE-14ce9fd6-81
0.419
MAR-TRE-14ce9fd6-14
0.418
MAR-TRE-a3327163-82
0.409
MAR-TRE-0fda4e82-31
0.396
MAR-TRE-14ce9fd6-92
0.388
MAR-TRE-14ce9fd6-75
0.384
MAR-TRE-1c920f6f-100
0.383
MAR-TRE-1c920f6f-20
0.379
MAR-TRE-14ce9fd6-80
0.375
MAR-TRE-6c5ef77a-27
0.371
MAR-TRE-14ce9fd6-18
0.370
MAR-TRE-a3327163-71
0.366
MAR-TRE-14ce9fd6-46
0.355
MAR-TRE-a3327163-88
0.354
MAR-TRE-a3327163-68
0.348
MAR-TRE-14ce9fd6-40
0.347
MAR-TRE-1c920f6f-47
0.340
MAR-TRE-6c5ef77a-67
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MAR-TRE-6c5ef77a-66
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MAR-TRE-0fda4e82-76
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MAR-TRE-14ce9fd6-27
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MAR-TRE-14ce9fd6-90
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MAR-TRE-6c5ef77a-32
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MAR-TRE-6c5ef77a-74
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MAR-TRE-1c920f6f-16
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MAR-TRE-1c920f6f-75
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MAR-TRE-0fda4e82-72
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MAR-TRE-f5c2d31c-72
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MAR-TRE-6c5ef77a-64
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MAR-TRE-1c920f6f-13
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MAR-TRE-1c920f6f-42
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MAR-TRE-a3327163-43
0.312
MAR-TRE-d0525fbf-93
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MAR-TRE-6c5ef77a-58
0.311
MAR-TRE-a3327163-53
0.309
MAR-TRE-0fda4e82-56
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MAR-TRE-0fda4e82-11
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MAR-TRE-6c5ef77a-51
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MAR-TRE-0fda4e82-29
0.301
MAR-TRE-6c5ef77a-46
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MAR-TRE-a3327163-32
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MAR-TRE-0fda4e82-14
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MAR-TRE-0fda4e82-81
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MAR-TRE-1c920f6f-65
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MAR-TRE-6c5ef77a-35
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MAR-TRE-a3327163-42
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MAR-TRE-1c920f6f-26
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MAR-TRE-1c920f6f-30
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MAR-TRE-14ce9fd6-59
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MAR-TRE-14ce9fd6-43
0.287
MAR-TRE-0fda4e82-84
0.287
MAR-TRE-6c5ef77a-47
0.286
MAR-TRE-f5c2d31c-6
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MAR-TRE-6c5ef77a-45
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MAR-TRE-1c920f6f-3
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MAR-TRE-0fda4e82-47
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MAR-TRE-1c920f6f-44
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MAR-TRE-6c5ef77a-55
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MAR-TRE-f5c2d31c-44
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MAR-TRE-0fda4e82-94
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MAR-TRE-6c5ef77a-92
0.279
MAR-TRE-0fda4e82-96
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MAR-TRE-a3327163-40
0.278
MAR-TRE-a3327163-18
0.278
MAR-TRE-1c920f6f-74
0.277
MAR-TRE-14ce9fd6-37
0.276
MAR-TRE-6c5ef77a-68
0.276
MAR-TRE-0fda4e82-63
0.276
MAR-TRE-a3327163-48
0.276
MAR-TRE-14ce9fd6-68
0.276
MAR-TRE-1c920f6f-68
0.276
TAM-UNI-c140e31a-14
0.275
MAR-TRE-6c5ef77a-16
0.274
MAT-POS-b5746674-77
0.273