Molecular Properties | |
SMILES: | N=C(N)SCc1ccc(NC(=O)c2conc2CCl)cc1 |
MW: | 324.04 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 105.0 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
Filter6_benzyl_halide
N:C-SCH2 groups
acyclic C=N-H
Imine 3
Alkyl Halide
MAR-TRE-a78003aa-35
0.479
MAR-TRE-a78003aa-34
0.448
MAR-TRE-a78003aa-84
0.446
MAR-TRE-a78003aa-47
0.438
MAR-TRE-a78003aa-5
0.434
MAR-TRE-a78003aa-1
0.429
MAR-TRE-a78003aa-7
0.429
MAR-TRE-a78003aa-9
0.429
MAR-TRE-a78003aa-65
0.427
MAR-TRE-a78003aa-79
0.427
MAR-TRE-a78003aa-93
0.427
MAR-TRE-a78003aa-76
0.426
MAR-TRE-a78003aa-55
0.425
MAR-TRE-a78003aa-53
0.423
MAR-TRE-a78003aa-26
0.421
MAR-TRE-a78003aa-42
0.421
MAR-TRE-a78003aa-54
0.419
MAR-TRE-a78003aa-57
0.416
MAR-TRE-a78003aa-86
0.416
MAR-TRE-a78003aa-90
0.413
MAR-TRE-a78003aa-95
0.413
MAR-TRE-a78003aa-82
0.413
MAR-TRE-a78003aa-75
0.413
MAR-TRE-a78003aa-59
0.412
MAR-TRE-a78003aa-43
0.412
MAR-TRE-a78003aa-27
0.412
MAR-TRE-a78003aa-45
0.410
MAR-TRE-a78003aa-85
0.409
MAR-TRE-a78003aa-39
0.408
MAR-TRE-a78003aa-2
0.408
MAR-TRE-a78003aa-6
0.406
MAR-TRE-a78003aa-21
0.405
MAR-TRE-a78003aa-74
0.403
MAR-TRE-a78003aa-50
0.403
MAR-TRE-a78003aa-33
0.400
MAR-TRE-a78003aa-38
0.397
MAR-TRE-a78003aa-98
0.397
MAR-TRE-a78003aa-30
0.397
MAR-TRE-a78003aa-83
0.397
MAR-TRE-a78003aa-68
0.397
MAR-TRE-a78003aa-69
0.397
MAR-TRE-a78003aa-20
0.394
MAR-TRE-a78003aa-87
0.392
MAR-TRE-a78003aa-81
0.392
MAR-TRE-a78003aa-89
0.392
MAR-TRE-a78003aa-36
0.391
MAR-TRE-a78003aa-72
0.391
MAR-TRE-a78003aa-49
0.391
MAR-TRE-a78003aa-51
0.391
MAR-TRE-a78003aa-25
0.390
MAR-TRE-a78003aa-73
0.387
MAR-TRE-a78003aa-4
0.386
MAR-TRE-a78003aa-40
0.386
MAR-TRE-a78003aa-31
0.385
MAR-TRE-a78003aa-62
0.384
MAR-TRE-a78003aa-67
0.384
MAR-TRE-a78003aa-28
0.384
MAR-TRE-a78003aa-80
0.384
MAR-TRE-a78003aa-78
0.382
MAR-TRE-a78003aa-12
0.380
MAR-TRE-a78003aa-16
0.380
MAR-TRE-a78003aa-92
0.380
MAR-TRE-a78003aa-24
0.380
MAR-TRE-a78003aa-91
0.380
MAR-TRE-a78003aa-15
0.380
MAR-TRE-a78003aa-23
0.380
MAR-TRE-a78003aa-8
0.378
MAR-TRE-a78003aa-10
0.378
MAR-TRE-a78003aa-61
0.377
MAR-TRE-a78003aa-32
0.375
MAR-TRE-a78003aa-99
0.375
MAR-TRE-a78003aa-17
0.375
MAR-TRE-a78003aa-97
0.373
MAR-TRE-a78003aa-96
0.373
MAR-TRE-a78003aa-18
0.373
MAR-TRE-a78003aa-37
0.370
MAR-TRE-a78003aa-44
0.370
MAR-TRE-a78003aa-88
0.370
MAR-TRE-a78003aa-63
0.368
MAR-TRE-a78003aa-64
0.365
MAR-TRE-a78003aa-11
0.365
MAR-TRE-a78003aa-41
0.364
MAR-TRE-a78003aa-3
0.364
MAR-TRE-a78003aa-71
0.360
MAR-TRE-a78003aa-60
0.360
MAR-TRE-a78003aa-94
0.360
MAR-TRE-a78003aa-66
0.360
MAR-TRE-a78003aa-13
0.359
MAR-TRE-a78003aa-52
0.359
MAR-TRE-a78003aa-58
0.355
MAR-TRE-a78003aa-29
0.354
MAR-TRE-a78003aa-14
0.350
MAR-TRE-a78003aa-100
0.346
MAR-TRE-a78003aa-70
0.346
MAR-TRE-a78003aa-22
0.342
MAR-TRE-a78003aa-48
0.342
MAR-TRE-a78003aa-46
0.341
MAR-TRE-a78003aa-56
0.338
MAR-TRE-a78003aa-19
0.307
MAT-POS-b5746674-77
0.253