Molecular Properties | |
SMILES: | O=C(NCS(=O)(=O)c1ccccc1)c1conc1CCl |
MW: | 314.01 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.27 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-a78003aa-85
0.552
MAR-TRE-a78003aa-36
0.525
MAR-TRE-a78003aa-69
0.508
MAR-TRE-a78003aa-92
0.508
MAR-TRE-a78003aa-24
0.508
MAR-TRE-a78003aa-29
0.507
MAR-TRE-a78003aa-72
0.500
MAR-TRE-a78003aa-40
0.492
MAR-TRE-a78003aa-16
0.484
MAR-TRE-a78003aa-68
0.484
MAR-TRE-a78003aa-17
0.477
MAR-TRE-a78003aa-20
0.477
MAR-TRE-a78003aa-32
0.477
MAR-TRE-a78003aa-99
0.477
MAR-TRE-a78003aa-51
0.476
MAR-TRE-a78003aa-97
0.471
MAR-TRE-a78003aa-4
0.469
MAR-TRE-a78003aa-6
0.469
MAR-TRE-a78003aa-76
0.469
MAR-TRE-a78003aa-11
0.463
MAR-TRE-a78003aa-64
0.463
MAR-TRE-a78003aa-15
0.462
MAR-TRE-a78003aa-23
0.462
MAR-TRE-a78003aa-66
0.456
MAR-TRE-a78003aa-60
0.456
MAR-TRE-a78003aa-37
0.448
MAR-TRE-a78003aa-44
0.448
MAR-TRE-a78003aa-88
0.448
MAR-TRE-a78003aa-46
0.446
MAR-TRE-a78003aa-73
0.443
MAR-TRE-a78003aa-62
0.441
MAR-TRE-a78003aa-10
0.435
MAR-TRE-a78003aa-8
0.435
MAR-TRE-a78003aa-94
0.435
MAR-TRE-a78003aa-27
0.431
MAR-TRE-a78003aa-59
0.431
MAR-TRE-a78003aa-52
0.431
MAR-TRE-a78003aa-22
0.431
MAR-TRE-a78003aa-82
0.431
MAR-TRE-a78003aa-18
0.429
MAR-TRE-a78003aa-58
0.429
MAR-TRE-a78003aa-50
0.419
MAR-TRE-a78003aa-14
0.419
MAR-TRE-a78003aa-12
0.418
MAR-TRE-a78003aa-91
0.418
MAR-TRE-a78003aa-100
0.417
MAR-TRE-a78003aa-41
0.417
MAR-TRE-a78003aa-3
0.417
MAR-TRE-a78003aa-30
0.415
MAR-TRE-a78003aa-83
0.415
MAR-TRE-a78003aa-70
0.413
MAR-TRE-a78003aa-48
0.411
MAR-TRE-a78003aa-13
0.411
MAR-TRE-a78003aa-75
0.411
MAR-TRE-a78003aa-43
0.409
MAR-TRE-a78003aa-49
0.409
MAR-TRE-a78003aa-56
0.405
MAR-TRE-a78003aa-65
0.405
MAR-TRE-a78003aa-79
0.405
MAR-TRE-a78003aa-34
0.403
MAR-TRE-a78003aa-55
0.403
MAR-TRE-a78003aa-33
0.397
MAR-TRE-a78003aa-98
0.395
MAR-TRE-a78003aa-57
0.395
MAR-TRE-a78003aa-35
0.382
MAR-TRE-a78003aa-77
0.382
MAR-TRE-a78003aa-26
0.382
MAR-TRE-a78003aa-42
0.382
MAR-TRE-a78003aa-28
0.380
MAR-TRE-a78003aa-67
0.380
MAR-TRE-a78003aa-80
0.380
MAR-TRE-a78003aa-54
0.378
MAR-TRE-a78003aa-47
0.378
MAR-TRE-a78003aa-71
0.375
MAR-TRE-a78003aa-90
0.373
MAR-TRE-a78003aa-95
0.373
MAR-TRE-a78003aa-1
0.372
MAR-TRE-a78003aa-7
0.372
MAR-TRE-a78003aa-45
0.372
MAR-TRE-a78003aa-87
0.372
MAR-TRE-a78003aa-96
0.370
MAR-TRE-a78003aa-89
0.370
MAR-TRE-a78003aa-39
0.368
MAR-TRE-a78003aa-84
0.368
MAR-TRE-a78003aa-93
0.368
MAR-TRE-a78003aa-53
0.367
MAR-TRE-a78003aa-19
0.366
MAR-TRE-a78003aa-21
0.365
MAR-TRE-a78003aa-63
0.365
MAR-TRE-a78003aa-5
0.359
MAR-TRE-a78003aa-61
0.355
MAR-TRE-a78003aa-9
0.354
MAR-TRE-a78003aa-81
0.354
MAR-TRE-a78003aa-2
0.351
MAR-TRE-a78003aa-25
0.351
MAR-TRE-a78003aa-31
0.346
MAR-TRE-a78003aa-74
0.346
MAR-TRE-a78003aa-86
0.342
MAR-TRE-a78003aa-38
0.342
SAD-SAT-65574d3f-3
0.284