Molecular Properties | |
SMILES: | ClCc1ncc(N2CCC(C3CCNCC3)CC2)[nH]1 |
MW: | 282.16 |
Fraction sp3: | 0.79 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 43.95 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-80
0.400
MAR-TRE-87acfbcc-78
0.400
MAR-TRE-87acfbcc-85
0.373
MAR-TRE-87acfbcc-60
0.357
MAR-TRE-87acfbcc-42
0.352
MAR-TRE-87acfbcc-57
0.348
MAR-TRE-87acfbcc-56
0.309
MAR-TRE-87acfbcc-88
0.282
MAR-TRE-87acfbcc-18
0.279
MAR-TRE-87acfbcc-84
0.271
MAR-TRE-87acfbcc-75
0.263
MAR-TRE-87acfbcc-37
0.257
LON-WEI-5e7d1b3e-32
0.257
LON-WEI-4d77710c-32
0.257
MAR-TRE-87acfbcc-100
0.250
MAR-TRE-87acfbcc-69
0.246
MAR-TRE-87acfbcc-70
0.246
MAR-TRE-87acfbcc-92
0.243
MAR-TRE-87acfbcc-90
0.242
MAR-TRE-87acfbcc-79
0.239
VIK-SYN-9a3d118a-8
0.237
MAR-TRE-87acfbcc-8
0.236
MAR-TRE-87acfbcc-46
0.230
MAR-TRE-87acfbcc-38
0.229
MAR-TRE-87acfbcc-26
0.227
MAR-TRE-d3c2bf0e-23
0.224
MAR-TRE-87acfbcc-2
0.224
MAR-TRE-87acfbcc-4
0.222
MAR-TRE-87acfbcc-45
0.222
MAR-TRE-87acfbcc-15
0.222
MAR-TRE-87acfbcc-89
0.222
MAR-TRE-87acfbcc-24
0.221
MAR-TRE-87acfbcc-9
0.221
MAR-TRE-87acfbcc-52
0.221
MAR-TRE-87acfbcc-71
0.219
MAR-TRE-87acfbcc-11
0.219
MAR-TRE-87acfbcc-12
0.217
MAR-TRE-87acfbcc-33
0.216
MAR-TRE-87acfbcc-86
0.214
MAR-TRE-87acfbcc-36
0.214
MAR-TRE-87acfbcc-41
0.214
JOH-UNI-522b0723-3
0.213
MAK-UNK-748f8b7a-7
0.213
MAR-TRE-87acfbcc-50
0.213
MAR-TRE-87acfbcc-93
0.211
MAR-TRE-87acfbcc-16
0.211
MAR-TRE-87acfbcc-6
0.211
MAR-TRE-9c797165-99
0.209
MAK-UNK-748f8b7a-1
0.208
MAK-UNK-748f8b7a-15
0.208
MAR-TRE-87acfbcc-30
0.208
MAR-TRE-87acfbcc-13
0.208
MAR-TRE-87acfbcc-91
0.208
MAR-TRE-87acfbcc-82
0.208
MAR-TRE-87acfbcc-28
0.208
MAR-TRE-87acfbcc-14
0.208
LON-WEI-b2874fec-14
0.207
LON-WEI-b2874fec-8
0.207
MAR-TRE-87acfbcc-98
0.205
MAR-TRE-87acfbcc-7
0.205
MAR-TRE-87acfbcc-20
0.205
MAR-TRE-87acfbcc-49
0.205
MAR-TRE-87acfbcc-55
0.205
MAR-TRE-87acfbcc-48
0.205
MAR-TRE-87acfbcc-87
0.205
MAR-TRE-87acfbcc-67
0.205
MAR-TRE-87acfbcc-64
0.205
GIA-UNK-20b63697-4
0.205
MAR-TRE-74c6519b-90
0.204
MAR-TRE-87acfbcc-47
0.203
MAR-TRE-87acfbcc-62
0.203
MAR-TRE-87acfbcc-10
0.203
MAR-TRE-87acfbcc-34
0.200
LON-WEI-b2874fec-7
0.200
MAR-TRE-87acfbcc-74
0.200
MAR-TRE-7f7bb9f0-54
0.200
MAR-TRE-87acfbcc-19
0.200
MAR-TRE-87acfbcc-68
0.200
MAR-TRE-87acfbcc-76
0.200
MAR-TRE-87acfbcc-95
0.200
MAR-TRE-87acfbcc-96
0.200
ABI-SAT-a53b70f8-1
0.198
LON-WEI-b2874fec-11
0.198
MAR-TRE-b77b7921-74
0.198
MAR-TRE-87acfbcc-97
0.198
MAR-TRE-87acfbcc-21
0.197
MAR-TRE-f6f5f473-37
0.195
MAR-TRE-87acfbcc-66
0.195
MAR-TRE-4b834d9a-56
0.195
MAR-TRE-87acfbcc-65
0.193
MAR-TRE-c317dd82-9
0.193
MAR-TRE-87acfbcc-5
0.193
MAR-TRE-87acfbcc-59
0.193
MAR-TRE-87acfbcc-54
0.192
MAR-TRE-87acfbcc-58
0.192
MAR-TRE-87acfbcc-27
0.192
MAR-TRE-87acfbcc-32
0.192
LON-WEI-b2874fec-6
0.191
LON-WEI-b2874fec-13
0.191
MAR-TRE-87acfbcc-40
0.191