Molecular Properties | |
SMILES: | Cc1cnc(NC(=O)CSc2ncccc2C#N)s1 |
MW: | 290.03 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 2.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7200638948 |
MolPort: | MolPort-003-844-131 |
aminothiazole
MAR-TRE-6c5ef77a-26
0.696
MAR-TRE-a3327163-15
0.667
MAR-TRE-6c5ef77a-14
0.653
MAR-TRE-6c5ef77a-33
0.644
MAR-TRE-1c920f6f-42
0.577
MAR-TRE-14ce9fd6-43
0.573
MAR-TRE-0fda4e82-47
0.566
MAR-TRE-14ce9fd6-27
0.566
MAR-TRE-6c5ef77a-96
0.564
MAR-TRE-1c920f6f-3
0.562
MAR-TRE-1c920f6f-47
0.562
MAR-TRE-0fda4e82-89
0.558
MAR-TRE-6c5ef77a-66
0.554
MAR-TRE-6c5ef77a-67
0.553
MAR-TRE-1c920f6f-26
0.551
MAR-TRE-0fda4e82-90
0.551
MAR-TRE-0fda4e82-76
0.545
MAR-TRE-1c920f6f-30
0.544
MAR-TRE-14ce9fd6-37
0.544
MAR-TRE-1c920f6f-74
0.539
MAR-TRE-6c5ef77a-64
0.538
MAR-TRE-0fda4e82-72
0.537
MAR-TRE-6c5ef77a-46
0.532
MAR-TRE-1c920f6f-44
0.526
MAR-TRE-0fda4e82-29
0.525
MAR-TRE-6c5ef77a-58
0.519
MAR-TRE-6c5ef77a-55
0.518
MAR-TRE-14ce9fd6-1
0.513
MAR-TRE-6c5ef77a-51
0.506
MAR-TRE-1c920f6f-49
0.506
MAR-TRE-6c5ef77a-29
0.488
MAR-TRE-6c5ef77a-93
0.456
MAR-TRE-1c920f6f-10
0.449
MAR-TRE-0fda4e82-63
0.402
MAR-TRE-1c920f6f-82
0.391
MAR-TRE-6c5ef77a-40
0.376
MAR-TRE-6c5ef77a-68
0.371
MAR-TRE-a3327163-29
0.369
MAR-TRE-a3327163-61
0.357
MAR-TRE-a3327163-20
0.349
MAR-TRE-a3327163-35
0.345
MAR-TRE-a3327163-50
0.345
MAR-TRE-6c5ef77a-22
0.333
MAR-TRE-a3327163-80
0.330
MAR-TRE-d0525fbf-93
0.323
MAR-TRE-1c920f6f-58
0.316
MAR-TRE-a3327163-24
0.315
MAR-TRE-a3327163-71
0.312
MAR-TRE-0fda4e82-68
0.306
MAR-TRE-0fda4e82-36
0.303
MAR-TRE-0fda4e82-38
0.299
MAR-TRE-a3327163-34
0.298
MAR-TRE-1c920f6f-100
0.297
MAR-TRE-6c5ef77a-28
0.295
MAR-TRE-a3327163-82
0.293
MAR-TRE-1c920f6f-20
0.293
MAR-TRE-a3327163-37
0.293
MAR-TRE-a3327163-5
0.289
MAR-TRE-0fda4e82-20
0.287
MAR-TRE-74c6519b-44
0.287
MAR-TRE-a3327163-18
0.286
MAR-TRE-1c920f6f-46
0.284
MAR-TRE-0fda4e82-31
0.284
MAR-TRE-14ce9fd6-36
0.283
MAR-TRE-a3327163-88
0.283
MAR-TRE-1c920f6f-7
0.281
MAR-TRE-6c5ef77a-47
0.281
MAR-TRE-f5c2d31c-6
0.281
MAR-TRE-0fda4e82-6
0.281
MAR-TRE-6c5ef77a-17
0.280
MAR-TRE-fd17a9b8-23
0.280
MAR-TRE-a9136c7b-43
0.279
MAR-TRE-0fda4e82-81
0.279
MAR-TRE-1c920f6f-75
0.279
MAR-TRE-a3327163-42
0.276
MAR-TRE-2fd8122f-46
0.276
MAR-TRE-1c920f6f-95
0.274
MAR-TRE-1c920f6f-5
0.274
MAR-TRE-1c920f6f-4
0.272
MAR-TRE-2fd8122f-68
0.269
DAR-DIA-842b4336-14
0.267
MAR-TRE-1c920f6f-1
0.267
MAR-TRE-a3327163-43
0.267
MAR-TRE-0fda4e82-82
0.267
MAR-TRE-a3327163-46
0.266
DAR-DIA-842b4336-19
0.263
MAR-TRE-6c5ef77a-32
0.263
MAR-TRE-0fda4e82-59
0.263
MAR-TRE-a3327163-53
0.261
MAR-TRE-1c920f6f-51
0.260
MAR-TRE-7f7bb9f0-23
0.260
ANT-DIA-3c79be55-2
0.259
MAR-TRE-6c5ef77a-74
0.258
MAR-TRE-6c5ef77a-11
0.256
ANT-DIA-3c79be55-1
0.255
ASH-SAT-43770c7d-9
0.253
MAR-TRE-6c5ef77a-48
0.253
MAR-TRE-1c920f6f-53
0.253
MAR-TRE-6c5ef77a-35
0.253
MAR-TRE-0fda4e82-60
0.253