Molecular Properties | |
SMILES: | N=c1ccn2c(n1)OC1C(O)C(COc3csc(CCl)n3)OC12 |
MW: | 356.03 |
Fraction sp3: | 0.46 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.48 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Filter82_pyridinium
Alkyl Halide
MAR-TRE-ebcc4ad6-10
0.544
MAR-TRE-36bf7dba-61
0.459
MAR-TRE-36bf7dba-13
0.368
MAR-TRE-36bf7dba-77
0.358
MAR-TRE-ebcc4ad6-28
0.356
MAR-TRE-36bf7dba-16
0.343
MAR-TRE-36bf7dba-18
0.340
MAR-TRE-36bf7dba-24
0.333
MAR-TRE-36bf7dba-85
0.333
MAR-TRE-36bf7dba-6
0.318
MAR-TRE-36bf7dba-20
0.315
MAR-TRE-36bf7dba-80
0.304
MAR-TRE-36bf7dba-7
0.299
MAR-TRE-36bf7dba-33
0.297
MAR-TRE-36bf7dba-86
0.295
MAR-TRE-36bf7dba-10
0.293
MAR-TRE-36bf7dba-70
0.292
MAR-TRE-36bf7dba-25
0.292
MAR-TRE-36bf7dba-19
0.287
MAR-TRE-36bf7dba-100
0.287
MAR-TRE-36bf7dba-3
0.286
MAR-TRE-36bf7dba-68
0.283
MAR-TRE-36bf7dba-8
0.283
MAR-TRE-36bf7dba-23
0.283
MAR-TRE-36bf7dba-2
0.281
MAR-TRE-36bf7dba-5
0.275
MAR-TRE-36bf7dba-81
0.275
MAR-TRE-36bf7dba-60
0.274
MAR-TRE-36bf7dba-15
0.273
MAR-TRE-36bf7dba-38
0.272
MAR-TRE-36bf7dba-47
0.270
MAR-TRE-36bf7dba-12
0.269
MAR-TRE-36bf7dba-14
0.268
MAR-TRE-36bf7dba-46
0.267
MAR-TRE-36bf7dba-31
0.266
MAR-TRE-36bf7dba-50
0.266
MAR-TRE-36bf7dba-11
0.265
MAR-TRE-36bf7dba-36
0.263
MAR-TRE-36bf7dba-72
0.263
MAR-TRE-36bf7dba-96
0.263
MAR-TRE-36bf7dba-94
0.260
MAR-TRE-36bf7dba-45
0.260
MAR-TRE-36bf7dba-9
0.258
MAR-TRE-36bf7dba-28
0.258
MAR-TRE-36bf7dba-39
0.255
MAR-TRE-36bf7dba-49
0.253
MAR-TRE-36bf7dba-53
0.253
MAR-TRE-36bf7dba-40
0.253
MAR-TRE-36bf7dba-83
0.253
MAR-TRE-36bf7dba-37
0.253
MAR-TRE-36bf7dba-56
0.250
MAR-TRE-36bf7dba-98
0.250
MAR-TRE-36bf7dba-90
0.247
MAR-TRE-36bf7dba-76
0.245
MAR-TRE-36bf7dba-30
0.245
MAR-TRE-36bf7dba-79
0.245
MAR-TRE-36bf7dba-97
0.245
MAR-TRE-36bf7dba-4
0.240
MAR-TRE-36bf7dba-62
0.240
MAR-TRE-36bf7dba-82
0.239
MAR-TRE-36bf7dba-63
0.238
MAR-TRE-36bf7dba-57
0.238
MAR-TRE-36bf7dba-64
0.238
MAR-TRE-36bf7dba-29
0.235
MAR-TRE-36bf7dba-67
0.235
MAR-TRE-36bf7dba-87
0.235
MAR-TRE-36bf7dba-1
0.235
MAR-TRE-36bf7dba-91
0.234
MAR-TRE-36bf7dba-99
0.234
MAR-TRE-36bf7dba-43
0.234
MAR-TRE-36bf7dba-42
0.234
MAR-TRE-36bf7dba-22
0.232
MAR-TRE-423310b6-1
0.232
MAR-TRE-36bf7dba-69
0.232
MAR-TRE-36bf7dba-35
0.231
MAR-TRE-36bf7dba-44
0.231
MAR-TRE-36bf7dba-88
0.231
MAR-TRE-36bf7dba-54
0.231
MAR-TRE-36bf7dba-59
0.230
MAR-TRE-36bf7dba-26
0.229
MAR-TRE-36bf7dba-32
0.229
MAR-TRE-36bf7dba-95
0.228
MAR-TRE-36bf7dba-89
0.227
MAR-TRE-36bf7dba-65
0.226
MAR-TRE-36bf7dba-74
0.225
MAR-TRE-36bf7dba-51
0.224
MAR-TRE-36bf7dba-73
0.224
MAR-TRE-36bf7dba-55
0.223
MAR-TRE-36bf7dba-84
0.223
MAR-TRE-423310b6-4
0.223
MAR-TRE-36bf7dba-27
0.223
MAR-UCB-195bc32d-51
0.222
MAR-TRE-36bf7dba-41
0.222
MAR-TRE-36bf7dba-21
0.221
MAR-TRE-36bf7dba-48
0.221
MAR-TRE-36bf7dba-71
0.219
MAR-TRE-36bf7dba-75
0.218
MAR-TRE-36bf7dba-58
0.217
MAR-TRE-36bf7dba-52
0.215
MAR-TRE-36bf7dba-93
0.214