Molecular Properties | |
SMILES: | N#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1 |
MW: | 287.05 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6390043876 |
MolPort: | MolPort-002-313-894 |
MAR-TRE-1c920f6f-47
0.762
MAR-TRE-1c920f6f-42
0.730
MAR-TRE-6c5ef77a-67
0.716
MAR-TRE-0fda4e82-76
0.706
MAR-TRE-6c5ef77a-64
0.696
MAR-TRE-0fda4e82-47
0.681
MAR-TRE-0fda4e82-72
0.667
MAR-TRE-6c5ef77a-58
0.667
MAR-TRE-14ce9fd6-27
0.657
MAR-TRE-1c920f6f-30
0.653
MAR-TRE-6c5ef77a-51
0.653
MAR-TRE-6c5ef77a-46
0.643
MAR-TRE-14ce9fd6-43
0.620
MAR-TRE-1c920f6f-26
0.616
MAR-TRE-1c920f6f-44
0.611
MAR-TRE-0fda4e82-29
0.608
MAR-TRE-14ce9fd6-37
0.608
MAR-TRE-1c920f6f-74
0.606
MAR-TRE-1c920f6f-3
0.586
MAR-TRE-6c5ef77a-26
0.583
MAR-TRE-a3327163-15
0.577
MAR-TRE-6c5ef77a-55
0.575
MAR-TRE-0fda4e82-90
0.573
MAR-TRE-1c920f6f-49
0.566
MAR-TRE-6c5ef77a-20
0.554
MAR-TRE-6c5ef77a-14
0.547
MAR-TRE-6c5ef77a-33
0.539
MAR-TRE-0fda4e82-89
0.539
MAR-TRE-6c5ef77a-96
0.526
MAR-TRE-14ce9fd6-1
0.514
MAR-TRE-a3327163-54
0.492
MAR-TRE-1c920f6f-10
0.467
MAR-TRE-6c5ef77a-32
0.452
MAR-TRE-6c5ef77a-92
0.439
MAR-TRE-6c5ef77a-93
0.436
MAR-TRE-1c920f6f-82
0.422
MAR-TRE-1c920f6f-75
0.408
MAR-TRE-6c5ef77a-74
0.407
MAR-TRE-a3327163-71
0.398
MAR-TRE-a3327163-82
0.398
MAR-TRE-1c920f6f-100
0.369
MAR-TRE-0fda4e82-31
0.368
MAR-TRE-a3327163-42
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MAR-TRE-1c920f6f-20
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MAR-TRE-6c5ef77a-47
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MAR-TRE-f5c2d31c-6
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MAR-TRE-0fda4e82-11
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MAR-TRE-7f7bb9f0-56
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MAR-TRE-14ce9fd6-7
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MAR-TRE-0fda4e82-14
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MAR-TRE-a3327163-43
0.354
MAR-TRE-a3327163-88
0.353
MAR-TRE-a3327163-48
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MAR-TRE-a3327163-53
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MAR-TRE-1c920f6f-65
0.349
MAR-TRE-d0525fbf-93
0.348
MAR-TRE-1c920f6f-19
0.344
CAS-DEP-751a2458-6
0.342
MAR-TRE-1c920f6f-95
0.341
MAR-TRE-0fda4e82-81
0.338
MAR-TRE-a3327163-32
0.337
MAR-TRE-0fda4e82-63
0.337
MAR-TRE-3159af1a-18
0.337
MAR-TRE-14ce9fd6-6
0.337
MAR-TRE-14ce9fd6-68
0.333
MAR-TRE-7f7bb9f0-77
0.333
MAR-TRE-4b834d9a-72
0.333
MAR-TRE-0fda4e82-56
0.333
MAR-TRE-6c5ef77a-35
0.330
MAR-TRE-14ce9fd6-59
0.329
MAR-TRE-14ce9fd6-78
0.329
MAR-TRE-7f7bb9f0-93
0.326
MAR-TRE-0fda4e82-96
0.326
MAR-TRE-6c5ef77a-40
0.326
MAR-TRE-a3327163-35
0.325
MAR-TRE-6c5ef77a-12
0.323
MAR-TRE-14ce9fd6-61
0.319
MAR-TRE-6c5ef77a-16
0.319
JOH-UNI-c7afdb96-2
0.316
MAR-TRE-d0525fbf-76
0.316
MAR-TRE-6c5ef77a-17
0.316
MAR-TRE-a3327163-40
0.316
MAK-UNK-a7b37c5e-5
0.316
MAR-TRE-f5c2d31c-10
0.312
MAR-TRE-6a44bbf2-85
0.307
MAR-TRE-a3327163-61
0.306
MAR-TRE-d0525fbf-31
0.301
MAR-TRE-a3327163-20
0.299
MAR-TRE-0fda4e82-59
0.298
MAR-TRE-6a44bbf2-47
0.296
JOH-UNI-c7afdb96-14
0.295
MAR-TRE-67513f76-23
0.295
MAR-TRE-1c920f6f-97
0.294
MAR-TRE-6c5ef77a-86
0.293
MAR-TRE-6a44bbf2-90
0.293
ISA-SCH-8e98219b-1
0.293
MAR-TRE-0fda4e82-84
0.292
MAR-TRE-a3327163-24
0.292
MAR-TRE-6c5ef77a-45
0.290
MAR-TRE-a3327163-46
0.289