Molecular Properties | |
SMILES: | O=C1NC2CSC(CCCCC(=O)Oc3csc(CCl)n3)C2N1 |
MW: | 375.05 |
Fraction sp3: | 0.64 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
biotin_analogue
MAR-TRE-fd17a9b8-79
0.443
MAR-TRE-fd17a9b8-70
0.438
MAR-TRE-fd17a9b8-28
0.427
MAR-TRE-fd17a9b8-45
0.426
MAR-TRE-36bf7dba-51
0.405
MAR-TRE-36bf7dba-87
0.400
MAR-TRE-36bf7dba-95
0.386
MAR-TRE-36bf7dba-53
0.376
MAR-TRE-36bf7dba-91
0.373
MAR-TRE-36bf7dba-99
0.373
MAR-TRE-36bf7dba-89
0.360
MAR-TRE-36bf7dba-76
0.359
MAR-TRE-36bf7dba-43
0.357
MAR-TRE-36bf7dba-9
0.353
MAR-TRE-36bf7dba-97
0.353
MAR-TRE-36bf7dba-64
0.352
MAR-TRE-36bf7dba-66
0.351
MAR-TRE-36bf7dba-31
0.345
MAR-TRE-36bf7dba-4
0.345
MAR-TRE-36bf7dba-42
0.340
MAR-TRE-36bf7dba-41
0.337
MAR-TRE-36bf7dba-74
0.337
MAR-TRE-36bf7dba-22
0.333
MAR-TRE-36bf7dba-84
0.333
MAR-TRE-36bf7dba-28
0.333
MAR-TRE-36bf7dba-75
0.333
MAR-TRE-36bf7dba-40
0.326
MAR-TRE-36bf7dba-90
0.326
MAR-TRE-36bf7dba-63
0.320
MAR-TRE-36bf7dba-52
0.320
MAR-TRE-36bf7dba-23
0.318
MAR-TRE-36bf7dba-82
0.317
MAR-TRE-36bf7dba-68
0.316
MAR-TRE-36bf7dba-54
0.312
MAR-TRE-36bf7dba-44
0.312
MAR-TRE-36bf7dba-37
0.312
MAR-TRE-36bf7dba-36
0.311
MAR-TRE-36bf7dba-67
0.308
MAR-TRE-36bf7dba-30
0.304
MAR-TRE-36bf7dba-14
0.301
MAR-TRE-36bf7dba-56
0.295
MAR-TRE-36bf7dba-98
0.295
MAR-TRE-36bf7dba-1
0.293
MAR-TRE-36bf7dba-71
0.286
MAR-TRE-36bf7dba-48
0.281
MAR-TRE-36bf7dba-69
0.278
MAR-TRE-36bf7dba-47
0.276
MAR-TRE-36bf7dba-49
0.273
MAR-TRE-36bf7dba-32
0.270
MAR-TRE-36bf7dba-34
0.266
MAR-TRE-36bf7dba-29
0.265
MAR-TRE-36bf7dba-85
0.260
MAR-TRE-36bf7dba-35
0.260
MAR-TRE-36bf7dba-78
0.257
MAR-TRE-36bf7dba-80
0.255
MAR-TRE-36bf7dba-81
0.253
MAR-TRE-36bf7dba-61
0.248
MAR-TRE-36bf7dba-10
0.248
MAR-TRE-36bf7dba-12
0.247
MAR-TRE-36bf7dba-77
0.246
MAR-TRE-36bf7dba-58
0.245
MAR-TRE-36bf7dba-25
0.245
MAR-TRE-36bf7dba-50
0.245
MAR-TRE-36bf7dba-86
0.244
MAR-TRE-36bf7dba-26
0.243
MAR-TRE-36bf7dba-13
0.243
MAR-TRE-36bf7dba-93
0.242
MAR-TRE-36bf7dba-70
0.242
MAR-TRE-36bf7dba-45
0.240
MAR-TRE-36bf7dba-19
0.240
MAR-TRE-36bf7dba-60
0.240
MAR-TRE-36bf7dba-27
0.237
MAR-TRE-36bf7dba-20
0.237
MAR-TRE-36bf7dba-79
0.237
MAR-TRE-36bf7dba-21
0.235
MAR-TRE-36bf7dba-39
0.235
MAR-TRE-36bf7dba-88
0.235
MAR-TRE-36bf7dba-59
0.235
MAR-TRE-36bf7dba-33
0.234
MAR-TRE-36bf7dba-8
0.234
MAR-TRE-36bf7dba-7
0.233
MAR-TRE-36bf7dba-11
0.233
MAR-TRE-36bf7dba-16
0.233
MAR-TRE-36bf7dba-24
0.232
MAR-TRE-36bf7dba-62
0.232
MAR-TRE-36bf7dba-65
0.231
MAR-TRE-36bf7dba-72
0.230
MAR-TRE-36bf7dba-38
0.229
MAR-TRE-36bf7dba-18
0.228
MAR-TRE-36bf7dba-55
0.228
MAR-TRE-36bf7dba-100
0.227
MAR-TRE-36bf7dba-17
0.224
MAR-TRE-36bf7dba-6
0.222
MAR-TRE-36bf7dba-83
0.220
MAR-TRE-36bf7dba-57
0.218
MAR-TRE-36bf7dba-96
0.218
MAR-TRE-36bf7dba-2
0.217
MAR-TRE-36bf7dba-94
0.216
MAR-TRE-36bf7dba-46
0.213
MAR-TRE-36bf7dba-92
0.213