Molecular Properties | |
SMILES: | N#CCSCC(=O)Nc1ccc(F)cc1 |
MW: | 224.04 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.89 |
cLogP: | 2.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1193791480 |
MolPort: | MolPort-002-097-731 |
Aliphatic long chain
MAR-TRE-a3327163-48
0.723
MAR-TRE-14ce9fd6-68
0.688
MAR-TRE-14ce9fd6-59
0.673
MAR-TRE-14ce9fd6-78
0.673
MAR-TRE-a3327163-40
0.635
MAR-TRE-14ce9fd6-61
0.633
MAR-TRE-6c5ef77a-66
0.492
MAR-TRE-6c5ef77a-92
0.411
MAR-TRE-14ce9fd6-51
0.406
MAR-TRE-6c5ef77a-32
0.390
MAR-TRE-6a44bbf2-85
0.383
MAR-TRE-6a44bbf2-90
0.367
JOH-UNI-c7afdb96-14
0.365
MAR-TRE-6a44bbf2-47
0.364
MAR-TRE-7f7bb9f0-56
0.358
MAR-TRE-1c920f6f-97
0.357
MAR-TRE-6c5ef77a-74
0.356
JOH-UNI-c7afdb96-2
0.348
MAR-TRE-0fda4e82-11
0.338
MAR-TRE-a3327163-32
0.333
MAR-TRE-0fda4e82-14
0.333
MAR-TRE-1c920f6f-47
0.333
ISA-SCH-8e98219b-2
0.333
MAR-TRE-3159af1a-18
0.333
MAR-TRE-1c920f6f-65
0.329
CAS-DEP-751a2458-6
0.318
MAR-TRE-6c5ef77a-67
0.316
MAR-TRE-0fda4e82-81
0.314
MAR-TRE-1c920f6f-75
0.314
MAR-TRE-4b834d9a-72
0.314
MAR-TRE-7f7bb9f0-77
0.314
MAR-TRE-0fda4e82-76
0.312
MAR-TRE-d0525fbf-76
0.310
MAR-TRE-a3327163-42
0.310
MAR-TRE-a3327163-53
0.310
MAR-TRE-0fda4e82-56
0.310
MAR-TRE-6c5ef77a-64
0.308
MAK-UNK-a7b37c5e-5
0.308
MAR-TRE-1c920f6f-42
0.306
MAR-TRE-e86a56b5-38
0.304
ISA-SCH-8e98219b-1
0.302
MAR-TRE-6c5ef77a-86
0.300
MAR-TRE-7f7bb9f0-26
0.300
MAR-TRE-a3327163-43
0.297
MAR-TRE-6c5ef77a-58
0.296
MAR-TRE-0fda4e82-72
0.296
MAR-TRE-0fda4e82-47
0.295
MAR-TRE-a3327163-82
0.295
MAR-TRE-14ce9fd6-7
0.294
MAR-TRE-d0525fbf-31
0.293
MAR-TRE-7f7bb9f0-93
0.291
MAR-TRE-6c5ef77a-62
0.288
MAR-TRE-0fda4e82-96
0.287
MAR-TRE-6c5ef77a-51
0.284
MAR-TRE-0fda4e82-31
0.284
MAR-TRE-1c920f6f-30
0.284
MAR-TRE-3e4e6814-66
0.284
MAR-TRE-1c920f6f-100
0.282
MAR-TRE-a3327163-88
0.282
MAR-TRE-6c5ef77a-16
0.280
MAR-TRE-6c5ef77a-47
0.280
MAR-TRE-f5c2d31c-6
0.280
MAR-TRE-1c920f6f-19
0.279
CAS-DEP-751a2458-4
0.279
MAR-TRE-1c920f6f-20
0.278
MAR-TRE-14ce9fd6-27
0.278
MAR-TRE-14ce9fd6-6
0.273
MAR-TRE-1c920f6f-95
0.272
MAR-TRE-67513f76-23
0.271
MAR-TRE-6c5ef77a-12
0.271
MAR-TRE-a3327163-71
0.271
RAL-THA-2d450e86-7
0.270
MAR-TRE-a3327163-68
0.268
MAR-TRE-f5c2d31c-10
0.268
MAR-TRE-f5c2d31c-38
0.267
MAR-TRE-6c5ef77a-46
0.266
MAR-TRE-14ce9fd6-43
0.266
KEI-TRE-d5e2018a-62
0.264
MAR-LAB-ff9967db-8
0.263
MAR-TRE-6c5ef77a-35
0.262
GAB-FAC-880f6604-1
0.262
LON-WEI-1908424e-12
0.262
MAR-TRE-6c5ef77a-55
0.261
MAR-TRE-a3327163-85
0.261
MAR-TRE-f5c2d31c-44
0.257
JOH-UNI-c7afdb96-10
0.256
WIL-UNI-1faa9b10-56
0.256
MAR-TRE-1c920f6f-26
0.256
MAR-TRE-7f7bb9f0-58
0.256
MAR-TRE-1c920f6f-74
0.253
MAR-TRE-0fda4e82-29
0.253
MAR-TRE-14ce9fd6-37
0.253
DAN-MCD-c163c0bb-1
0.253
MAR-TRE-e82e6c98-50
0.250
MAR-TRE-7f7bb9f0-74
0.250
KUS-THE-322b9b63-25
0.247
MAR-TRE-6c5ef77a-24
0.247
MAR-TRE-1c920f6f-44
0.247
MAR-TRE-6c5ef77a-25
0.246
MAK-UNK-72659d64-3
0.246