Molecular Properties | |
SMILES: | O=C(O)C(Nc1cnc(CCl)[nH]1)c1cccs1 |
MW: | 271.02 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-50
0.586
MAR-TRE-87acfbcc-19
0.540
MAR-TRE-87acfbcc-95
0.516
MAR-TRE-87acfbcc-36
0.509
MAR-TRE-87acfbcc-79
0.500
MAR-TRE-87acfbcc-15
0.483
MAR-TRE-87acfbcc-41
0.483
MAR-TRE-87acfbcc-47
0.475
MAR-TRE-87acfbcc-38
0.475
MAR-TRE-87acfbcc-91
0.467
MAR-TRE-87acfbcc-67
0.462
MAR-TRE-87acfbcc-7
0.459
MAR-TRE-87acfbcc-20
0.459
MAR-TRE-87acfbcc-35
0.455
MAR-TRE-87acfbcc-12
0.441
MAR-TRE-87acfbcc-21
0.438
MAR-TRE-87acfbcc-16
0.431
MAR-TRE-87acfbcc-2
0.424
MAR-TRE-87acfbcc-51
0.420
MAR-TRE-87acfbcc-25
0.420
MAR-TRE-87acfbcc-13
0.419
MAR-TRE-87acfbcc-87
0.418
MAR-TRE-87acfbcc-22
0.418
MAR-TRE-87acfbcc-9
0.418
MAR-TRE-87acfbcc-46
0.415
MAR-TRE-87acfbcc-63
0.412
MAR-TRE-87acfbcc-11
0.406
MAR-TRE-87acfbcc-71
0.406
MAR-TRE-87acfbcc-53
0.394
MAR-TRE-87acfbcc-5
0.389
MAR-TRE-87acfbcc-59
0.389
MAR-TRE-87acfbcc-49
0.369
MAR-TRE-87acfbcc-8
0.364
MAR-TRE-87acfbcc-97
0.361
MAR-TRE-87acfbcc-70
0.359
MAR-TRE-87acfbcc-72
0.357
MAR-TRE-87acfbcc-99
0.356
MAR-TRE-87acfbcc-86
0.344
MAR-TRE-87acfbcc-62
0.343
MAR-TRE-87acfbcc-83
0.338
MAR-TRE-87acfbcc-37
0.328
MAR-TRE-87acfbcc-48
0.328
MAR-TRE-87acfbcc-58
0.324
MAR-TRE-87acfbcc-32
0.324
MAR-TRE-87acfbcc-90
0.322
MAR-TRE-87acfbcc-61
0.320
MAR-TRE-87acfbcc-55
0.309
MAR-TRE-87acfbcc-26
0.302
MAR-TRE-87acfbcc-100
0.300
MAR-TRE-87acfbcc-33
0.300
MAR-TRE-87acfbcc-76
0.300
MAR-TRE-87acfbcc-3
0.293
MAR-TRE-87acfbcc-65
0.293
MAR-TRE-87acfbcc-93
0.292
MAR-TRE-87acfbcc-1
0.291
MAR-TRE-87acfbcc-98
0.290
MAR-TRE-87acfbcc-4
0.290
MAR-TRE-87acfbcc-29
0.280
MAR-TRE-87acfbcc-39
0.280
MAR-TRE-87acfbcc-10
0.280
MAR-TRE-87acfbcc-69
0.279
MAR-TRE-87acfbcc-73
0.276
MAR-TRE-87acfbcc-74
0.276
MAR-TRE-87acfbcc-34
0.276
MAR-TRE-87acfbcc-44
0.276
MAR-TRE-87acfbcc-6
0.274
MAR-TRE-8190bb11-91
0.274
MAR-TRE-87acfbcc-81
0.272
MAR-TRE-87acfbcc-45
0.271
MAR-TRE-87acfbcc-89
0.271
MAR-TRE-87acfbcc-54
0.270
MAR-TRE-87acfbcc-14
0.270
MAR-TRE-87acfbcc-68
0.264
MAR-TRE-87acfbcc-92
0.257
MAR-TRE-799db12b-95
0.257
MAR-TRE-87acfbcc-85
0.257
MAR-TRE-799db12b-23
0.256
MAR-TRE-87acfbcc-94
0.256
MAR-TRE-87acfbcc-27
0.253
MAR-TRE-87acfbcc-82
0.253
MAR-TRE-423310b6-68
0.253
MAR-TRE-87acfbcc-52
0.250
MAR-TRE-87acfbcc-77
0.250
MAR-TRE-87acfbcc-24
0.250
MAR-TRE-87acfbcc-31
0.250
DAN-RED-da448e80-17
0.247
BAR-COM-4e090d3a-29
0.247
MAR-TRE-8190bb11-48
0.247
MAK-UNK-7732b35b-24
0.246
RED-RED-10c9212c-32
0.245
MAR-TRE-9d18ae8c-64
0.244
MAR-TRE-87acfbcc-42
0.244
MAR-TRE-87acfbcc-23
0.241
MAR-TRE-e82e6c98-20
0.241
MAR-TRE-87acfbcc-66
0.240
MAR-TRE-87acfbcc-30
0.239
MAR-TRE-87acfbcc-57
0.237
MAK-UNK-b1d4dcd7-6
0.237
DOU-UNK-b5326f8f-6
0.234
MAR-TRE-92684b97-27
0.234