Molecular Properties | |
SMILES: | CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C |
MW: | 362.05 |
Fraction sp3: | 0.27 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 104.97 |
cLogP: | 2.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3086549555 |
MolPort: | MolPort-001-631-444 |
Ester
MAR-TRE-0fda4e82-38
0.688
MAR-TRE-0fda4e82-20
0.506
MAR-TRE-1c920f6f-46
0.500
MAR-TRE-1c920f6f-7
0.494
MAR-TRE-a3327163-20
0.364
MAR-TRE-1c920f6f-4
0.364
MAR-TRE-1c920f6f-5
0.350
MAR-TRE-1c920f6f-51
0.340
MAR-TRE-0fda4e82-72
0.337
MAR-TRE-0fda4e82-66
0.333
MAR-TRE-a3327163-2
0.333
MAR-TRE-a3327163-35
0.330
MAR-TRE-14ce9fd6-36
0.323
MAR-TRE-14ce9fd6-56
0.317
MAR-TRE-1c920f6f-12
0.317
MAR-TRE-6c5ef77a-26
0.315
MAR-TRE-14ce9fd6-67
0.311
MAR-TRE-a3327163-43
0.311
MAR-TRE-a3327163-61
0.311
MAR-TRE-a3327163-29
0.308
MAR-TRE-a3327163-80
0.301
MAR-TRE-a3327163-50
0.300
MAR-TRE-0fda4e82-43
0.300
MAR-TRE-6c5ef77a-20
0.298
MAR-TRE-1c920f6f-41
0.296
MAR-TRE-6c5ef77a-14
0.295
MAR-TRE-6c5ef77a-33
0.292
MAR-TRE-6c5ef77a-22
0.290
MAR-TRE-6c5ef77a-29
0.290
MAR-TRE-1c920f6f-21
0.290
MAR-TRE-1c920f6f-37
0.287
MAR-TRE-0fda4e82-18
0.284
MAR-TRE-1c920f6f-45
0.284
MAR-TRE-36bf7dba-28
0.284
MAR-TRE-6c5ef77a-28
0.283
MAR-TRE-1c920f6f-60
0.283
MAR-TRE-0fda4e82-33
0.281
MAR-TRE-f5c2d31c-32
0.281
MAR-TRE-6c5ef77a-87
0.280
MAR-TRE-1c920f6f-57
0.280
MAR-TRE-6c5ef77a-64
0.278
MAR-TRE-0fda4e82-100
0.276
MAR-TRE-f5c2d31c-71
0.275
MAR-TRE-6c5ef77a-79
0.275
MAR-TRE-a3327163-18
0.275
MAR-TRE-a3327163-27
0.273
MAR-TRE-6c5ef77a-67
0.271
MAR-TRE-a3327163-88
0.271
MAR-TRE-0fda4e82-61
0.270
MAR-TRE-f5c2d31c-97
0.269
MAR-TRE-1c920f6f-3
0.269
MAR-TRE-1c920f6f-20
0.268
MAR-TRE-0fda4e82-76
0.268
MAR-TRE-6c5ef77a-35
0.267
MAR-TRE-0fda4e82-60
0.267
MAR-TRE-0fda4e82-81
0.267
MAR-TRE-1c920f6f-75
0.267
MAR-TRE-a3327163-15
0.266
MAR-TRE-0fda4e82-89
0.265
MAR-TRE-0fda4e82-62
0.265
MAR-TRE-0fda4e82-59
0.265
MAR-TRE-74c6519b-44
0.264
MAR-TRE-a3327163-42
0.264
MAR-TRE-6c5ef77a-37
0.263
MAR-TRE-f5c2d31c-94
0.263
MAR-TRE-0fda4e82-90
0.263
MAR-TRE-14ce9fd6-29
0.263
MAR-TRE-6c5ef77a-12
0.262
MAR-TRE-a3327163-6
0.261
MAR-TRE-14ce9fd6-69
0.260
MAR-TRE-6c5ef77a-68
0.260
MAR-TRE-6c5ef77a-96
0.260
MAR-TRE-0fda4e82-67
0.260
MAR-TRE-f5c2d31c-10
0.258
MAR-TRE-14ce9fd6-43
0.258
MAR-TRE-1c920f6f-100
0.258
MAR-TRE-6c5ef77a-47
0.257
MAR-TRE-6c5ef77a-16
0.257
MAR-TRE-6c5ef77a-58
0.257
MAR-TRE-f5c2d31c-6
0.257
MAR-TRE-6c5ef77a-17
0.257
MAR-TRE-0fda4e82-6
0.255
MAR-TRE-1c920f6f-47
0.255
MAR-TRE-14ce9fd6-27
0.255
MAR-TRE-1c920f6f-44
0.255
MAR-TRE-a3327163-46
0.255
MAR-TRE-a3327163-71
0.250
MAR-TRE-0fda4e82-96
0.250
MAR-TRE-1c920f6f-26
0.250
MAR-TRE-1c920f6f-95
0.250
MAR-TRE-1c920f6f-8
0.248
MAR-TRE-0fda4e82-63
0.248
MAR-TRE-1c920f6f-30
0.248
MAR-TRE-6c5ef77a-74
0.247
MAR-TRE-1c920f6f-42
0.247
MAR-TRE-6c5ef77a-69
0.247
MAR-TRE-a3327163-92
0.245
MAR-TRE-6c5ef77a-45
0.245
MAR-TRE-1c920f6f-32
0.245
MAR-TRE-f5c2d31c-67
0.245