Molecular Properties | |
SMILES: | O=c1[nH]c(=O)n(-c2cnc(CCl)[nH]2)cc1F |
MW: | 244.02 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 83.54 |
cLogP: | 0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-56
0.333
MAR-TRE-87acfbcc-85
0.319
MAR-TRE-87acfbcc-57
0.314
MAR-TRE-87acfbcc-42
0.301
MAR-TRE-87acfbcc-78
0.293
MAR-TRE-87acfbcc-80
0.286
MAR-TRE-87acfbcc-75
0.282
MAR-TRE-87acfbcc-43
0.282
MAR-TRE-87acfbcc-60
0.270
MAR-TRE-f5c2d31c-4
0.261
MAR-TRE-87acfbcc-84
0.259
MAR-TRE-fffca54f-52
0.257
MAR-TRE-36bf7dba-13
0.255
MAR-TRE-87acfbcc-18
0.253
MAR-TRE-87acfbcc-26
0.250
MAR-TRE-87acfbcc-19
0.250
MAR-TRE-87acfbcc-69
0.250
MAR-TRE-36bf7dba-18
0.250
MAR-TRE-36bf7dba-61
0.247
MAR-TRE-87acfbcc-92
0.246
MAR-TRE-87acfbcc-90
0.246
MAR-TRE-87acfbcc-2
0.243
MAR-TRE-87acfbcc-37
0.243
MAR-TRE-87acfbcc-7
0.243
MAR-TRE-87acfbcc-98
0.243
MAR-TRE-87acfbcc-79
0.242
MAR-TRE-87acfbcc-12
0.239
MAR-TRE-fffca54f-37
0.236
MAR-TRE-87acfbcc-100
0.236
MAR-TRE-87acfbcc-33
0.236
MAR-TRE-87acfbcc-41
0.235
MAR-TRE-87acfbcc-36
0.235
MAR-TRE-87acfbcc-86
0.235
MAR-TRE-87acfbcc-70
0.232
MAR-TRE-87acfbcc-38
0.232
MAR-TRE-87acfbcc-23
0.232
MAR-TRE-87acfbcc-97
0.231
MAR-TRE-87acfbcc-6
0.230
MAR-TRE-87acfbcc-13
0.229
MAR-TRE-87acfbcc-30
0.229
MAR-TRE-87acfbcc-91
0.229
MAR-TRE-87acfbcc-32
0.227
MAR-TRE-87acfbcc-82
0.227
MAR-TRE-87acfbcc-45
0.225
MAR-TRE-87acfbcc-15
0.225
MAR-TRE-87acfbcc-20
0.225
MAR-TRE-87acfbcc-4
0.225
MAR-TRE-87acfbcc-49
0.225
MAR-TRE-87acfbcc-48
0.225
MAR-TRE-87acfbcc-55
0.225
MAR-TRE-87acfbcc-89
0.225
MAR-TRE-87acfbcc-77
0.225
MAR-TRE-87acfbcc-87
0.224
MAR-TRE-87acfbcc-67
0.224
MAR-TRE-87acfbcc-11
0.222
MAR-TRE-87acfbcc-71
0.222
MAR-TRE-87acfbcc-47
0.222
MAR-TRE-87acfbcc-62
0.222
MAR-TRE-87acfbcc-10
0.221
MAR-TRE-87acfbcc-39
0.221
MAR-TRE-87acfbcc-35
0.221
MAR-TRE-87acfbcc-68
0.219
MAR-TRE-87acfbcc-76
0.219
MAR-TRE-87acfbcc-96
0.218
MAR-TRE-87acfbcc-74
0.218
MAR-TRE-87acfbcc-95
0.218
MAR-TRE-87acfbcc-21
0.216
MAR-TRE-87acfbcc-50
0.216
MAR-TRE-87acfbcc-46
0.216
MAR-TRE-87acfbcc-16
0.213
MAR-TRE-87acfbcc-93
0.213
MAR-TRE-87acfbcc-61
0.212
MAR-TRE-87acfbcc-14
0.211
MAR-TRE-87acfbcc-58
0.211
MAR-TRE-87acfbcc-28
0.211
MAR-TRE-87acfbcc-27
0.211
MAR-TRE-87acfbcc-54
0.211
MAR-TRE-87acfbcc-5
0.210
MAR-TRE-87acfbcc-3
0.209
MAR-TRE-87acfbcc-24
0.208
MAR-TRE-87acfbcc-9
0.208
MAR-TRE-87acfbcc-22
0.208
MAR-TRE-87acfbcc-40
0.207
MAR-TRE-87acfbcc-8
0.205
MAR-TRE-87acfbcc-63
0.205
MAR-TRE-36bf7dba-16
0.204
MAR-TRE-87acfbcc-73
0.203
MAR-TRE-87acfbcc-34
0.203
MAR-TRE-87acfbcc-44
0.203
MAR-TRE-87acfbcc-94
0.200
MAR-TRE-87acfbcc-25
0.200
MAR-TRE-87acfbcc-51
0.200
MAR-TRE-87acfbcc-31
0.198
MAR-TRE-87acfbcc-53
0.198
MAR-TRE-87acfbcc-99
0.198
MAR-TRE-87acfbcc-66
0.197
MAR-TRE-87acfbcc-65
0.195
MAR-TRE-87acfbcc-59
0.195
MAR-TRE-87acfbcc-52
0.192
MAR-TRE-87acfbcc-64
0.192