Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)CSc2ncccc2C#N)c1 |
MW: | 283.08 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5351364357 |
MolPort: | MolPort-002-313-284 |
MAR-TRE-1c920f6f-44
0.750
MAR-TRE-0fda4e82-47
0.725
MAR-TRE-14ce9fd6-37
0.718
MAR-TRE-14ce9fd6-27
0.700
MAR-TRE-1c920f6f-26
0.681
MAR-TRE-1c920f6f-42
0.672
MAR-TRE-1c920f6f-30
0.671
MAR-TRE-6c5ef77a-46
0.662
MAR-TRE-1c920f6f-47
0.652
MAR-TRE-0fda4e82-29
0.649
MAR-TRE-6c5ef77a-51
0.627
MAR-TRE-6c5ef77a-66
0.620
MAR-TRE-6c5ef77a-67
0.616
MAR-TRE-6c5ef77a-55
0.613
MAR-TRE-0fda4e82-76
0.608
MAR-TRE-6c5ef77a-64
0.600
MAR-TRE-6c5ef77a-58
0.597
MAR-TRE-0fda4e82-72
0.597
MAR-TRE-6c5ef77a-96
0.584
MAR-TRE-6c5ef77a-26
0.581
MAR-TRE-0fda4e82-89
0.579
MAR-TRE-6c5ef77a-20
0.573
MAR-TRE-0fda4e82-90
0.571
MAR-TRE-6c5ef77a-14
0.566
MAR-TRE-1c920f6f-3
0.562
MAR-TRE-a3327163-15
0.554
MAR-TRE-1c920f6f-49
0.544
MAR-TRE-1c920f6f-74
0.539
MAR-TRE-6c5ef77a-33
0.538
MAR-TRE-14ce9fd6-1
0.494
MAR-TRE-6c5ef77a-93
0.474
MAR-TRE-1c920f6f-10
0.449
MAR-TRE-6c5ef77a-17
0.407
MAR-TRE-1c920f6f-82
0.391
MAR-TRE-0fda4e82-59
0.389
MAR-TRE-f5c2d31c-6
0.382
MAR-TRE-6c5ef77a-47
0.382
MAR-TRE-3159af1a-85
0.372
MAR-TRE-3e4e6814-29
0.367
MAR-TRE-f6f5f473-3
0.356
MAR-TRE-0fda4e82-31
0.356
WAR-XCH-eb7b662f-6
0.355
JOH-UNI-c7afdb96-8
0.354
MAR-TRE-a3327163-82
0.352
MAR-TRE-1c920f6f-20
0.352
JOH-UNI-c7afdb96-13
0.350
MAR-TRE-04c86cea-43
0.347
MAR-TRE-f6f5f473-59
0.347
JOH-UNI-c7afdb96-7
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MAR-TRE-6c5ef77a-40
0.345
MAR-TRE-1c920f6f-100
0.341
JAG-UCB-ef2c0e8e-3
0.341
MAR-TRE-a3327163-71
0.340
JOH-UNI-c7afdb96-6
0.337
MAR-TRE-d0525fbf-93
0.337
AAR-UNI-c25c2f1e-98
0.333
LOR-NOR-30067bb9-8
0.333
MAR-TRE-6c5ef77a-32
0.330
AGN-NEW-c7b24fe3-3
0.329
MAR-TRE-0fda4e82-63
0.326
MAR-TRE-a3327163-88
0.326
ALP-POS-95b75b4d-9
0.326
MAR-TRE-1c920f6f-75
0.325
DAR-DIA-23aa0b97-18
0.323
MAR-TRE-fd17a9b8-12
0.323
MAR-TRE-6c5ef77a-45
0.323
MAR-TRE-a3327163-20
0.318
MAR-TRE-0fda4e82-94
0.316
MAR-TRE-14ce9fd6-78
0.316
MAR-TRE-1c920f6f-95
0.315
MAR-TRE-0fda4e82-100
0.315
MAR-TRE-a3327163-24
0.315
MAR-TRE-6c5ef77a-74
0.315
MAR-TRE-a3327163-18
0.312
MAR-TRE-6c5ef77a-68
0.312
MAR-TRE-a3327163-37
0.311
MAR-TRE-a3327163-61
0.310
MAR-TRE-f5c2d31c-97
0.310
MAR-TRE-a3327163-43
0.310
DAR-DIA-23aa0b97-4
0.310
MAR-TRE-a3327163-29
0.307
MAR-TRE-14ce9fd6-61
0.307
MAR-TRE-a3327163-42
0.306
MAR-TRE-0fda4e82-96
0.301
DAR-DIA-23aa0b97-1
0.301
MAR-TRE-a3327163-35
0.299
MAR-TRE-a3327163-50
0.299
MAR-TRE-0fda4e82-84
0.297
MAR-TRE-0fda4e82-81
0.294
MAR-TRE-1c920f6f-65
0.293
MAR-TRE-1c920f6f-19
0.293
MAR-TRE-14ce9fd6-7
0.293
MAK-UNK-af83ef51-13
0.293
MAR-TRE-6c5ef77a-35
0.292
MAR-TRE-a3327163-53
0.291
MAR-TRE-6c5ef77a-24
0.290
DAR-DIA-23aa0b97-5
0.289
JOR-UNI-61e7b1d5-2
0.289
ANN-UNI-26382800-4
0.289
WAR-XCH-eb7b662f-1
0.289