Molecular Properties | |
SMILES: | Cc1cn(C2CCC(COc3csc(CCl)n3)O2)c(=O)[nH]c1=O |
MW: | 357.06 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 86.21 |
cLogP: | 1.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Filter82_pyridinium
Alkyl Halide
MAR-TRE-36bf7dba-18
0.747
MAR-TRE-36bf7dba-16
0.640
MAR-TRE-36bf7dba-77
0.489
MAR-TRE-36bf7dba-13
0.484
MAR-TRE-36bf7dba-61
0.433
MAR-TRE-fffca54f-27
0.357
MAR-TRE-ebcc4ad6-22
0.357
MAR-TRE-36bf7dba-85
0.333
MAR-TRE-36bf7dba-17
0.333
MAR-TRE-36bf7dba-25
0.319
MAR-TRE-36bf7dba-80
0.318
MAR-TRE-36bf7dba-2
0.310
MAR-TRE-fffca54f-57
0.307
MAR-TRE-ebcc4ad6-16
0.307
MAR-TRE-ebcc4ad6-37
0.302
MAR-TRE-36bf7dba-5
0.302
MAR-TRE-36bf7dba-6
0.301
MAR-TRE-36bf7dba-3
0.299
MAR-TRE-36bf7dba-7
0.298
MAR-TRE-36bf7dba-68
0.295
MAR-TRE-36bf7dba-70
0.291
MAR-TRE-36bf7dba-83
0.290
MAR-TRE-36bf7dba-32
0.289
MAR-TRE-36bf7dba-81
0.287
MAR-TRE-36bf7dba-72
0.287
MAR-TRE-36bf7dba-60
0.286
MAR-TRE-36bf7dba-100
0.286
MAR-TRE-36bf7dba-29
0.284
MAR-TRE-36bf7dba-20
0.284
MAR-TRE-36bf7dba-38
0.283
MAR-TRE-36bf7dba-23
0.281
MAR-TRE-36bf7dba-33
0.281
MAR-TRE-36bf7dba-12
0.281
MAR-TRE-36bf7dba-86
0.279
MAR-TRE-36bf7dba-10
0.278
MAR-TRE-36bf7dba-50
0.278
MAR-TRE-36bf7dba-96
0.274
MAR-TRE-36bf7dba-19
0.272
MAR-TRE-36bf7dba-45
0.271
MAR-TRE-36bf7dba-47
0.268
MAR-TRE-36bf7dba-8
0.267
MAR-TRE-36bf7dba-39
0.265
MAR-TRE-36bf7dba-35
0.265
MAR-TRE-36bf7dba-71
0.265
MAR-TRE-36bf7dba-49
0.264
MAR-TRE-36bf7dba-11
0.263
MAR-TRE-36bf7dba-36
0.261
MAR-TRE-36bf7dba-98
0.260
MAR-TRE-36bf7dba-64
0.260
MAR-TRE-36bf7dba-43
0.258
MAR-TRE-36bf7dba-48
0.258
MAR-TRE-36bf7dba-94
0.258
MAR-TRE-36bf7dba-15
0.258
MAR-TRE-36bf7dba-79
0.256
MAR-TRE-36bf7dba-69
0.256
MAR-TRE-36bf7dba-28
0.255
MAR-TRE-36bf7dba-14
0.253
MAR-TRE-36bf7dba-59
0.253
MAR-TRE-36bf7dba-89
0.250
MAR-TRE-85681e92-23
0.250
MAR-TRE-36bf7dba-95
0.250
MAR-TRE-36bf7dba-63
0.248
MAR-TRE-36bf7dba-57
0.247
MAR-TRE-36bf7dba-51
0.247
MAR-TRE-36bf7dba-41
0.245
MAR-TRE-36bf7dba-34
0.245
MAR-TRE-36bf7dba-67
0.245
MAR-TRE-36bf7dba-99
0.244
MAR-TRE-36bf7dba-90
0.244
MAR-TRE-36bf7dba-9
0.242
MAR-TRE-36bf7dba-46
0.240
MAR-TRE-36bf7dba-58
0.238
MAR-TRE-36bf7dba-62
0.237
MAR-TRE-36bf7dba-53
0.237
MAR-TRE-36bf7dba-31
0.237
MAR-TRE-ebcc4ad6-13
0.235
MAR-TRE-fffca54f-48
0.235
MAR-TRE-36bf7dba-56
0.235
MAR-TRE-ebcc4ad6-6
0.234
MAR-TRE-fffca54f-25
0.234
MAR-TRE-fffca54f-52
0.234
MAR-TRE-36bf7dba-55
0.232
MAR-TRE-36bf7dba-73
0.232
MAR-TRE-36bf7dba-1
0.232
MAR-TRE-36bf7dba-42
0.231
MAR-TRE-36bf7dba-91
0.231
MAR-TRE-36bf7dba-76
0.230
MAR-TRE-36bf7dba-22
0.229
MAR-TRE-36bf7dba-30
0.229
MAR-TRE-36bf7dba-97
0.228
MAR-TRE-3724962b-7
0.227
MAR-TRE-4f39ef4a-47
0.226
MAR-TRE-ebcc4ad6-34
0.226
MAR-TRE-36bf7dba-37
0.224
MAR-TRE-36bf7dba-40
0.224
MAR-TRE-36bf7dba-82
0.224
MAR-TRE-36bf7dba-4
0.223
MAR-TRE-36bf7dba-65
0.223
MAR-TRE-ebcc4ad6-18
0.222
MAR-TRE-fffca54f-60
0.222