Molecular Properties | |
SMILES: | CN(C)CCN(Cc1ccccc1)c1cnc(CCl)[nH]1 |
MW: | 292.15 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 35.16 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-39
0.623
MAR-TRE-87acfbcc-31
0.543
MAR-TRE-87acfbcc-17
0.479
MAR-TRE-87acfbcc-26
0.417
MAR-TRE-87acfbcc-52
0.380
MAR-TRE-87acfbcc-64
0.380
MAR-TRE-87acfbcc-66
0.371
MAR-TRE-87acfbcc-74
0.351
MAR-TRE-87acfbcc-69
0.324
MAR-TRE-87acfbcc-92
0.319
MAR-TRE-87acfbcc-6
0.315
MAR-TRE-87acfbcc-71
0.310
MAR-TRE-423310b6-70
0.307
MAR-TRE-87acfbcc-27
0.293
MAR-TRE-87acfbcc-68
0.288
MAR-TRE-87acfbcc-77
0.287
MAR-TRE-87acfbcc-3
0.282
MAR-TRE-87acfbcc-30
0.282
MAR-TRE-87acfbcc-40
0.279
MAR-TRE-87acfbcc-23
0.277
MAR-TRE-87acfbcc-82
0.276
MAR-TRE-87acfbcc-24
0.273
MAR-TRE-87acfbcc-76
0.270
MAR-TRE-87acfbcc-35
0.269
MAR-TRE-87acfbcc-50
0.267
MAR-TRE-87acfbcc-1
0.267
MAR-TRE-87acfbcc-95
0.266
MAR-TRE-87acfbcc-19
0.266
MAR-TRE-85681e92-66
0.256
MAR-TRE-87acfbcc-36
0.254
MAR-TRE-87acfbcc-18
0.253
JUA-UNI-b93289a4-6
0.244
MAR-TRE-87acfbcc-20
0.243
MAR-TRE-87acfbcc-98
0.243
MAR-TRE-87acfbcc-79
0.243
MAR-TRE-85681e92-59
0.241
MAR-TRE-87acfbcc-12
0.239
MAR-TRE-87acfbcc-41
0.236
MAK-UNK-194150d3-13
0.234
MAR-TRE-87acfbcc-21
0.234
MAR-TRE-87acfbcc-38
0.233
MAR-TRE-66ac689e-43
0.233
JUA-UNI-a9dfaed1-6
0.232
MAR-TRE-87acfbcc-93
0.231
MAR-TRE-87acfbcc-13
0.230
MAR-TRE-87acfbcc-28
0.228
MAR-TRE-87acfbcc-90
0.227
MAR-TRE-87acfbcc-7
0.227
MAR-TRE-87acfbcc-48
0.227
MAR-TRE-87acfbcc-49
0.227
MAR-TRE-87acfbcc-15
0.227
MAR-TRE-4f781e27-28
0.226
MAK-UNK-af83ef51-2
0.225
MAR-TRE-87acfbcc-87
0.225
DAR-DIA-eace69ff-9
0.224
DAR-DIA-eace69ff-14
0.224
MAR-TRE-87acfbcc-47
0.224
MAR-LAB-efb042c5-6
0.224
DAR-DIA-eace69ff-8
0.222
MAR-TRE-87acfbcc-73
0.220
MAR-TRE-92684b97-51
0.220
MAR-TRE-87acfbcc-86
0.219
MAR-TRE-87acfbcc-88
0.218
DAR-DIA-eace69ff-32
0.217
MAR-TRE-87acfbcc-25
0.217
MAR-TRE-87acfbcc-51
0.217
MAR-TRE-87acfbcc-94
0.217
MAR-TRE-87acfbcc-70
0.216
ANT-OPE-7b1b1664-1
0.216
MAR-TRE-423310b6-10
0.216
MAR-TRE-87acfbcc-85
0.215
MAR-TRE-87acfbcc-16
0.215
MAT-POS-ea426761-98
0.215
DUN-NEW-f8ce3686-25
0.213
MAR-TRE-87acfbcc-91
0.213
MAR-TRE-87acfbcc-58
0.212
SAD-SAT-d8079f6f-8
0.212
UNK-UNK-2ede4078-7
0.212
MAR-TRE-87acfbcc-59
0.212
MAR-TRE-87acfbcc-37
0.211
MAR-TRE-87acfbcc-22
0.210
MAR-TRE-87acfbcc-9
0.210
MAR-TRE-87acfbcc-67
0.210
MAR-TRE-87acfbcc-72
0.210
SAD-SAT-c989feaa-4
0.209
MAR-TRE-8190bb11-21
0.209
MAR-LAB-ff9967db-5
0.208
DAR-DIA-eace69ff-7
0.208
MAR-TRE-87acfbcc-11
0.208
MAR-TRE-87acfbcc-62
0.208
MAR-TRE-87acfbcc-8
0.208
MAR-TRE-66ac689e-83
0.207
MAR-TRE-87acfbcc-75
0.207
JUA-UNI-b93289a4-5
0.206
LON-WEI-9739a092-4
0.206
MAR-TRE-85681e92-95
0.205
MAR-TRE-87acfbcc-100
0.205
MAT-POS-162a9720-10
0.205
WIL-UNI-5578df48-8
0.205
MAR-TRE-87acfbcc-44
0.205