Molecular Properties | |
SMILES: | O=C(O)C(Nc1cnc(CCl)[nH]1)c1ccccc1F |
MW: | 283.05 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-50
0.583
MAR-TRE-87acfbcc-28
0.540
MAR-TRE-423310b6-68
0.500
MAR-TRE-87acfbcc-95
0.493
MAR-TRE-87acfbcc-79
0.475
MAR-TRE-87acfbcc-36
0.459
MAR-TRE-87acfbcc-41
0.459
MAR-TRE-87acfbcc-35
0.456
MAR-TRE-87acfbcc-38
0.452
MAR-TRE-87acfbcc-91
0.444
MAR-TRE-87acfbcc-20
0.438
MAR-TRE-87acfbcc-15
0.438
MAR-TRE-87acfbcc-7
0.438
MAR-TRE-87acfbcc-47
0.431
MAR-TRE-87acfbcc-87
0.420
MAR-TRE-87acfbcc-67
0.420
MAR-TRE-87acfbcc-12
0.419
MAR-TRE-87acfbcc-21
0.418
MAR-TRE-87acfbcc-16
0.412
MAR-TRE-87acfbcc-71
0.409
MAR-TRE-87acfbcc-2
0.406
MAR-TRE-87acfbcc-25
0.403
MAR-TRE-87acfbcc-51
0.403
MAR-TRE-87acfbcc-22
0.400
MAR-TRE-87acfbcc-13
0.400
MAR-TRE-87acfbcc-9
0.400
MAR-TRE-87acfbcc-46
0.397
MAR-TRE-87acfbcc-63
0.394
MAR-TRE-87acfbcc-11
0.388
MAR-TRE-87acfbcc-53
0.378
MAR-TRE-87acfbcc-59
0.373
MAR-TRE-87acfbcc-5
0.373
MAR-TRE-87acfbcc-97
0.365
MAR-TRE-87acfbcc-49
0.353
MAR-TRE-87acfbcc-8
0.348
MAR-TRE-87acfbcc-70
0.343
MAR-TRE-87acfbcc-72
0.342
MAR-TRE-87acfbcc-99
0.342
MAR-TRE-87acfbcc-48
0.333
MAR-TRE-8190bb11-91
0.333
MAR-TRE-87acfbcc-62
0.329
MAR-TRE-87acfbcc-86
0.328
MAR-TRE-87acfbcc-90
0.328
MAR-TRE-87acfbcc-83
0.325
MAR-TRE-87acfbcc-58
0.311
MAR-TRE-87acfbcc-61
0.308
MAR-TRE-87acfbcc-100
0.306
MAR-TRE-87acfbcc-39
0.303
MAR-TRE-87acfbcc-73
0.299
MAR-TRE-87acfbcc-3
0.298
MAR-TRE-87acfbcc-55
0.296
MAR-TRE-87acfbcc-37
0.296
GIA-UNK-7337c2f3-6
0.295
MAR-TRE-87acfbcc-32
0.293
MAR-TRE-92684b97-27
0.289
MAR-TRE-92684b97-50
0.289
MAR-TRE-87acfbcc-26
0.288
MAR-TRE-87acfbcc-76
0.288
MAR-TRE-87acfbcc-33
0.288
MAR-TRE-87acfbcc-29
0.286
MAR-TRE-9d18ae8c-8
0.280
MAR-TRE-87acfbcc-6
0.280
MAR-TRE-87acfbcc-93
0.280
MAR-TRE-66ac689e-36
0.279
MAR-TRE-799db12b-23
0.278
MAR-TRE-87acfbcc-89
0.278
MAR-TRE-87acfbcc-4
0.278
MAR-TRE-87acfbcc-45
0.278
MAR-TRE-87acfbcc-98
0.278
MAR-TRE-87acfbcc-54
0.276
MAR-TRE-a9136c7b-36
0.275
MAR-TRE-87acfbcc-68
0.270
MAR-TRE-87acfbcc-10
0.269
MAR-TRE-87acfbcc-69
0.268
MAR-TRE-87acfbcc-1
0.267
MAR-TRE-87acfbcc-96
0.266
MAR-TRE-87acfbcc-34
0.266
MAR-TRE-87acfbcc-44
0.266
MAR-TRE-87acfbcc-85
0.263
MAR-TRE-e82e6c98-20
0.263
MAR-TRE-87acfbcc-81
0.262
MAR-TRE-87acfbcc-14
0.260
JOR-WAB-5f511e4e-1
0.258
MAR-TRE-87acfbcc-52
0.256
MAR-TRE-87acfbcc-31
0.256
MAR-TRE-87acfbcc-65
0.253
MAR-TRE-87acfbcc-42
0.250
MAR-TRE-87acfbcc-88
0.250
MAR-TRE-87acfbcc-74
0.250
MAR-TRE-be9ff7d2-86
0.250
MAR-TRE-a9136c7b-66
0.250
MAR-TRE-9d18ae8c-64
0.250
MAR-TRE-87acfbcc-23
0.247
MAR-TRE-799db12b-61
0.247
MAR-TRE-799db12b-96
0.247
MAR-TRE-87acfbcc-94
0.247
MAR-TRE-799db12b-95
0.247
MAR-TRE-87acfbcc-92
0.247
MAR-TRE-87acfbcc-27
0.244
MAR-TRE-87acfbcc-77
0.241