Molecular Properties | |
SMILES: | COCC1CCCN1c1cnc(CCl)[nH]1 |
MW: | 229.1 |
Fraction sp3: | 0.7 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.15 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-80
0.649
MAR-TRE-87acfbcc-85
0.418
MAR-TRE-87acfbcc-18
0.395
MAR-TRE-87acfbcc-43
0.357
MAR-TRE-87acfbcc-42
0.356
MAR-TRE-87acfbcc-57
0.333
MAR-TRE-87acfbcc-56
0.314
MAR-TRE-87acfbcc-12
0.299
MAR-TRE-87acfbcc-78
0.295
MAR-TRE-87acfbcc-86
0.294
MAR-TRE-87acfbcc-84
0.291
MAR-TRE-87acfbcc-75
0.284
MAR-TRE-87acfbcc-88
0.270
MAR-TRE-87acfbcc-13
0.268
MAR-TRE-87acfbcc-79
0.265
MAR-TRE-87acfbcc-67
0.260
MAR-TRE-87acfbcc-100
0.257
MAR-TRE-87acfbcc-68
0.257
MAR-TRE-87acfbcc-99
0.247
MAR-TRE-87acfbcc-32
0.247
MAR-TRE-87acfbcc-82
0.247
MAR-TRE-87acfbcc-24
0.244
MAR-TRE-87acfbcc-11
0.243
MAR-TRE-87acfbcc-8
0.243
MAR-TRE-87acfbcc-47
0.243
MAR-TRE-87acfbcc-36
0.239
MAR-TRE-87acfbcc-41
0.239
MAR-TRE-87acfbcc-95
0.237
MAR-TRE-87acfbcc-38
0.236
MAR-TRE-87acfbcc-69
0.236
MAR-TRE-87acfbcc-70
0.236
MAR-TRE-87acfbcc-97
0.235
MAR-TRE-87acfbcc-92
0.233
MAR-TRE-87acfbcc-83
0.232
MAR-TRE-87acfbcc-27
0.231
MAR-TRE-87acfbcc-90
0.231
MAR-TRE-87acfbcc-7
0.230
MAR-TRE-87acfbcc-48
0.230
MAR-TRE-87acfbcc-15
0.230
MAR-TRE-87acfbcc-37
0.230
MAR-TRE-87acfbcc-20
0.230
MAR-TRE-87acfbcc-72
0.228
MAR-TRE-87acfbcc-87
0.228
MAR-TRE-87acfbcc-65
0.227
MAR-TRE-87acfbcc-71
0.227
MAR-TRE-87acfbcc-35
0.225
MAR-TRE-87acfbcc-50
0.221
MAR-TRE-87acfbcc-21
0.221
MAR-TRE-87acfbcc-46
0.221
MAR-TRE-87acfbcc-94
0.220
MAR-TRE-87acfbcc-16
0.218
MAR-TRE-87acfbcc-26
0.217
MAR-TRE-87acfbcc-91
0.216
MAR-TRE-87acfbcc-2
0.215
MAR-TRE-87acfbcc-1
0.215
MAR-TRE-87acfbcc-5
0.214
VIK-SYN-9a3d118a-8
0.214
JUL-TUD-06b2044f-108
0.213
MAR-TRE-87acfbcc-55
0.213
MAR-TRE-87acfbcc-98
0.213
MAR-TRE-87acfbcc-9
0.212
MAR-TRE-87acfbcc-22
0.212
MAR-TRE-87acfbcc-62
0.211
MAR-TRE-87acfbcc-63
0.210
MAR-TRE-c8530538-99
0.210
MAR-TRE-c8530538-49
0.209
SHA-THE-408e7524-6
0.208
MAR-TRE-87acfbcc-33
0.208
MAR-TRE-87acfbcc-34
0.207
MAR-TRE-87acfbcc-81
0.207
MAR-TRE-36bf7dba-24
0.206
MAK-UNK-c97f7c8f-1
0.205
MAR-TRE-87acfbcc-25
0.205
MAR-TRE-87acfbcc-6
0.203
MAR-TRE-87acfbcc-93
0.203
MAR-TRE-e82e6c98-65
0.202
MAR-TRE-87acfbcc-61
0.202
MAR-TRE-87acfbcc-31
0.202
DAR-DIA-fb20be43-5
0.200
AAR-POS-0daf6b7e-26
0.200
MAK-UNK-6435e6c2-9
0.200
MAR-TRE-87acfbcc-59
0.200
MAR-TRE-87acfbcc-28
0.200
MAR-TRE-87acfbcc-30
0.200
MAR-TRE-87acfbcc-77
0.200
AUS-ARG-7cfdce8f-1
0.198
MAR-TRE-87acfbcc-64
0.198
MAR-TRE-87acfbcc-45
0.197
MAR-TRE-87acfbcc-4
0.197
MAR-TRE-87acfbcc-49
0.197
MAR-TRE-87acfbcc-89
0.197
MAR-TRE-36bf7dba-16
0.196
MAR-TRE-8190bb11-99
0.196
WAR-XCH-b0339bbe-3
0.196
MAR-TRE-6a44bbf2-41
0.195
MAR-TRE-87acfbcc-10
0.195
WAR-XCH-b72a1bbc-23
0.195
MAR-TRE-c317dd82-3
0.194
MAK-UNK-1bb0b7ee-4
0.194
MAK-UNK-b1d4dcd7-5
0.194