Molecular Properties | |
SMILES: | CCCCN(c1cnc(CCl)[nH]1)S(=O)(=O)c1cccc(N)c1 |
MW: | 342.09 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 92.08 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Filter6_benzyl_halide
aniline
Dye 22
Hetero_hetero
Alkyl Halide
analine
MAR-TRE-87acfbcc-77
0.412
MAR-TRE-87acfbcc-92
0.329
MAR-TRE-87acfbcc-82
0.305
MAR-TRE-87acfbcc-64
0.301
MAR-TRE-87acfbcc-69
0.299
MAR-TRE-87acfbcc-27
0.289
MAR-TRE-87acfbcc-68
0.284
MAR-TRE-87acfbcc-26
0.284
MAR-TRE-87acfbcc-31
0.283
MAR-TRE-87acfbcc-96
0.279
MAR-TRE-87acfbcc-23
0.275
MAR-TRE-87acfbcc-24
0.271
MAR-TRE-87acfbcc-39
0.267
MAR-TRE-87acfbcc-17
0.264
MAR-TRE-87acfbcc-30
0.263
MAR-TRE-87acfbcc-66
0.262
MAR-TRE-87acfbcc-6
0.262
MAR-TRE-87acfbcc-47
0.256
MAR-TRE-87acfbcc-52
0.256
MAR-TRE-87acfbcc-3
0.253
MAR-TRE-87acfbcc-1
0.253
MAR-TRE-87acfbcc-74
0.250
MAR-TRE-87acfbcc-21
0.250
MAR-TRE-87acfbcc-13
0.247
MAR-TRE-87acfbcc-84
0.245
MAR-TRE-87acfbcc-79
0.244
MAR-TRE-87acfbcc-22
0.241
MAR-TRE-87acfbcc-44
0.236
MAR-TRE-423310b6-52
0.235
MAR-TRE-87acfbcc-25
0.233
MAR-TRE-87acfbcc-51
0.233
MAR-TRE-87acfbcc-29
0.229
MAR-TRE-87acfbcc-20
0.229
MAR-TRE-87acfbcc-48
0.229
MAR-TRE-87acfbcc-98
0.229
MAR-TRE-423310b6-79
0.226
MAR-TRE-87acfbcc-12
0.225
MAR-TRE-87acfbcc-35
0.225
MAR-TRE-4f39ef4a-1
0.223
MAR-TRE-87acfbcc-75
0.223
MAR-TRE-66ac689e-22
0.223
MAR-TRE-87acfbcc-36
0.222
MAR-TRE-87acfbcc-41
0.222
MAR-TRE-87acfbcc-95
0.222
MAR-TRE-87acfbcc-80
0.221
MAR-TRE-87acfbcc-97
0.220
MAR-TRE-87acfbcc-38
0.220
JAN-GHE-f4ca5a00-18
0.219
MAR-TRE-85681e92-66
0.218
MAR-TRE-87acfbcc-99
0.217
MAR-TRE-87acfbcc-28
0.216
MAR-TRE-87acfbcc-57
0.216
MAR-TRE-87acfbcc-55
0.214
MAR-TRE-87acfbcc-45
0.214
MAR-TRE-87acfbcc-65
0.214
MAR-TRE-87acfbcc-11
0.212
MAR-TRE-87acfbcc-8
0.212
MAR-TRE-87acfbcc-71
0.212
MAR-TRE-87acfbcc-10
0.211
MAR-TRE-87acfbcc-86
0.207
MAR-TRE-87acfbcc-50
0.207
MAR-TRE-87acfbcc-88
0.207
MAR-TRE-87acfbcc-94
0.207
GAB-REV-df64cf17-17
0.206
NIR-THE-c331be7a-1
0.206
KEI-TRE-d5e2018a-16
0.206
MAR-TRE-87acfbcc-93
0.205
MAR-TRE-87acfbcc-85
0.205
MAR-TRE-87acfbcc-83
0.204
MAR-TRE-85681e92-59
0.204
JAN-GHE-f4ca5a00-11
0.204
MAR-TRE-87acfbcc-91
0.202
MAR-TRE-87acfbcc-32
0.202
MAR-TRE-85681e92-67
0.202
MED-COV-4280ac29-4
0.202
KEI-TRE-d5e2018a-24
0.200
MAR-TRE-87acfbcc-15
0.200
MAR-TRE-87acfbcc-37
0.200
MAR-TRE-799db12b-86
0.200
MAR-TRE-87acfbcc-4
0.200
MAR-TRE-87acfbcc-49
0.200
MAR-TRE-87acfbcc-87
0.200
MAR-TRE-87acfbcc-7
0.200
MAR-TRE-a9136c7b-78
0.200
MAR-TRE-87acfbcc-72
0.200
MAR-TRE-87acfbcc-89
0.200
MAR-TRE-87acfbcc-9
0.200
NIM-UNI-310206f0-27
0.198
JAN-GHE-f4ca5a00-19
0.198
JAN-GHE-f4ca5a00-20
0.198
JAN-GHE-f4ca5a00-9
0.198
MAR-TRE-87acfbcc-63
0.198
MAR-UNI-9d4da90d-2
0.198
MAR-TRE-87acfbcc-62
0.198
MAR-TRE-87acfbcc-56
0.198
MAR-TRE-87acfbcc-90
0.197
JAN-GHE-f4ca5a00-10
0.196
MAR-TRE-87acfbcc-19
0.196
MAR-TRE-87acfbcc-73
0.196
MAR-TRE-87acfbcc-76
0.195