Molecular Properties | |
SMILES: | N#CCSCC(=O)Nc1ccc(Br)cc1 |
MW: | 283.96 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.89 |
cLogP: | 2.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2340551220 |
MolPort: | MolPort-002-097-884 |
Aliphatic long chain
Filter9_metal
aryl bromide
MAR-TRE-a3327163-48
0.702
MAR-TRE-14ce9fd6-78
0.688
MAR-TRE-a3327163-54
0.688
MAR-TRE-14ce9fd6-59
0.688
MAR-TRE-a3327163-40
0.647
MAR-TRE-14ce9fd6-61
0.646
MAR-TRE-1c920f6f-47
0.484
MAR-TRE-14ce9fd6-51
0.413
MAR-TRE-1c920f6f-97
0.362
MAR-TRE-6c5ef77a-66
0.333
MAR-TRE-0fda4e82-11
0.324
MAR-TRE-6c5ef77a-67
0.320
MAR-TRE-a3327163-32
0.319
MAR-TRE-0fda4e82-81
0.319
MAR-TRE-0fda4e82-14
0.319
MAR-TRE-1c920f6f-75
0.319
MAR-TRE-1c920f6f-65
0.316
MAR-TRE-0fda4e82-76
0.316
MAR-TRE-a3327163-42
0.314
MAR-TRE-0fda4e82-56
0.314
MAR-TRE-a3327163-53
0.314
MAR-TRE-6c5ef77a-64
0.312
MAR-TRE-1c920f6f-42
0.310
MAR-TRE-6c5ef77a-74
0.307
MAR-TRE-a3327163-43
0.301
MAR-TRE-6c5ef77a-58
0.300
MAR-TRE-0fda4e82-72
0.300
MAR-TRE-1c920f6f-44
0.299
MAR-TRE-a3327163-82
0.299
MAR-TRE-1c920f6f-98
0.288
MAR-TRE-0fda4e82-29
0.287
MAR-TRE-0fda4e82-31
0.287
MAR-TRE-a3327163-88
0.286
MAR-TRE-14ce9fd6-43
0.286
MAR-TRE-1c920f6f-100
0.286
MAR-TRE-b77b7921-57
0.286
MAR-TRE-14ce9fd6-7
0.282
MAR-TRE-1c920f6f-19
0.282
MAR-TRE-14ce9fd6-27
0.282
MAR-TRE-1c920f6f-20
0.282
MAR-TRE-0fda4e82-39
0.281
MAR-TRE-14ce9fd6-6
0.276
MAR-TRE-0fda4e82-96
0.275
MAR-TRE-1c920f6f-95
0.275
MAR-TRE-6c5ef77a-92
0.275
MAR-TRE-1c920f6f-49
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MAR-TRE-a3327163-68
0.271
MAR-TRE-f5c2d31c-10
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MAR-TRE-6c5ef77a-62
0.271
MAR-TRE-6c5ef77a-46
0.269
MAR-TRE-6c5ef77a-45
0.268
MAR-TRE-6c5ef77a-16
0.268
MAR-TRE-6a44bbf2-90
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MAR-TRE-6c5ef77a-35
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MAR-TRE-6c5ef77a-32
0.262
MAR-TRE-f5c2d31c-44
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MAR-TRE-1c920f6f-26
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MAR-TRE-6c5ef77a-12
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MAR-TRE-a3327163-71
0.259
MAR-TRE-1c920f6f-80
0.259
MAR-TRE-1c920f6f-30
0.256
MAR-TRE-6c5ef77a-51
0.256
MAR-TRE-a3327163-57
0.254
MAR-TRE-0fda4e82-47
0.250
MAR-TRE-f5c2d31c-17
0.250
MAR-TRE-6c5ef77a-55
0.250
MAR-TRE-f5c2d31c-76
0.244
MAR-TRE-67513f76-81
0.241
MAR-TRE-14ce9fd6-37
0.241
MAR-TRE-04c86cea-71
0.241
HAO-BIO-c9aafde3-8
0.240
MAR-TRE-0fda4e82-83
0.239
SAD-SAT-6b5a89f0-8
0.236
MAR-TRE-7f7bb9f0-74
0.236
JOH-UNK-14e6adc5-2
0.235
ANN-UNI-26382800-3
0.235
MAR-TRE-6a44bbf2-89
0.235
MAR-TRE-a3327163-66
0.235
MAR-TRE-d3c2bf0e-79
0.234
MAR-TRE-3e4e6814-98
0.234
MAR-TRE-1c920f6f-3
0.234
DAR-DIA-842b4336-14
0.233
MAR-TRE-0fda4e82-94
0.233
MAR-TRE-a3327163-15
0.231
MAR-TRE-6c5ef77a-25
0.231
MAT-POS-e10a589d-4
0.231
MAR-TRE-74c6519b-74
0.231
DAR-DIA-23aa0b97-4
0.230
MAK-UNK-72659d64-3
0.230
JOH-SUS-bab12148-1
0.230
JOH-UNI-c7afdb96-1
0.227
JOH-UNI-c7afdb96-17
0.227
JOH-UNI-c7afdb96-16
0.227
LON-WEI-1908424e-12
0.227
WIL-UNI-5578df48-15
0.227
PET-SGC-0f1d26ed-2
0.227
ANN-UNI-26382800-5
0.227
MAR-TRE-fd17a9b8-97
0.226
MAR-TRE-6a44bbf2-12
0.225
MAR-TRE-92684b97-63
0.225