Molecular Properties | |
SMILES: | O=C1CSC(Nc2cnc(CCl)[nH]2)=N1 |
MW: | 230.0 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 70.14 |
cLogP: | 1.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-46
0.381
MAR-TRE-87acfbcc-90
0.377
MAR-TRE-87acfbcc-38
0.367
MAR-TRE-87acfbcc-79
0.362
MAR-TRE-87acfbcc-12
0.356
MAR-TRE-87acfbcc-41
0.350
MAR-TRE-87acfbcc-36
0.350
MAR-TRE-87acfbcc-47
0.349
MAR-TRE-87acfbcc-100
0.344
MAR-TRE-87acfbcc-13
0.339
MAR-TRE-87acfbcc-91
0.339
MAR-TRE-87acfbcc-50
0.338
MAR-TRE-87acfbcc-15
0.333
MAR-TRE-87acfbcc-55
0.333
MAR-TRE-87acfbcc-16
0.333
MAR-TRE-87acfbcc-7
0.333
MAR-TRE-87acfbcc-20
0.333
MAR-TRE-87acfbcc-89
0.333
MAR-TRE-87acfbcc-65
0.329
MAR-TRE-87acfbcc-58
0.328
MAR-TRE-87acfbcc-28
0.328
MAR-TRE-87acfbcc-2
0.328
MAR-TRE-87acfbcc-8
0.328
MAR-TRE-87acfbcc-11
0.328
MAR-TRE-87acfbcc-62
0.328
MAR-TRE-87acfbcc-86
0.328
MAR-TRE-87acfbcc-9
0.324
MAR-TRE-87acfbcc-70
0.323
MAR-TRE-87acfbcc-21
0.318
MAR-TRE-87acfbcc-48
0.312
MAR-TRE-87acfbcc-45
0.312
MAR-TRE-87acfbcc-4
0.312
MAR-TRE-87acfbcc-49
0.312
MAR-TRE-87acfbcc-97
0.310
MAR-TRE-87acfbcc-71
0.308
MAR-TRE-87acfbcc-53
0.306
MAR-TRE-87acfbcc-22
0.304
MAR-TRE-87acfbcc-67
0.304
MAR-TRE-87acfbcc-87
0.304
MAR-TRE-87acfbcc-33
0.303
MAR-TRE-87acfbcc-5
0.301
MAR-TRE-87acfbcc-35
0.300
MAR-TRE-87acfbcc-63
0.300
MAR-TRE-87acfbcc-44
0.296
MAR-TRE-87acfbcc-19
0.296
MAR-TRE-87acfbcc-95
0.296
MAR-TRE-87acfbcc-98
0.292
MAR-TRE-87acfbcc-25
0.292
MAR-TRE-87acfbcc-51
0.292
MAR-TRE-87acfbcc-32
0.290
MAR-TRE-87acfbcc-54
0.290
MAR-TRE-87acfbcc-61
0.288
MAR-TRE-87acfbcc-99
0.288
MAR-TRE-87acfbcc-72
0.286
MAR-TRE-87acfbcc-59
0.284
MAR-TRE-87acfbcc-76
0.284
MAR-TRE-87acfbcc-10
0.282
MAR-TRE-87acfbcc-74
0.278
MAR-TRE-87acfbcc-93
0.275
MAR-TRE-87acfbcc-14
0.271
MAR-TRE-87acfbcc-83
0.270
MAR-TRE-87acfbcc-56
0.269
MAR-TRE-87acfbcc-29
0.266
MAR-TRE-87acfbcc-26
0.262
MAR-TRE-87acfbcc-80
0.261
MAR-TRE-87acfbcc-73
0.260
MAR-TRE-87acfbcc-34
0.260
MAR-TRE-87acfbcc-30
0.258
MAR-TRE-87acfbcc-92
0.258
MAR-TRE-87acfbcc-43
0.257
MAR-TRE-87acfbcc-94
0.257
MAR-TRE-87acfbcc-81
0.256
MAR-TRE-87acfbcc-57
0.254
MAR-TRE-87acfbcc-64
0.250
MAR-TRE-87acfbcc-68
0.246
MAR-TRE-87acfbcc-42
0.243
MAR-TRE-87acfbcc-88
0.243
MAR-TRE-87acfbcc-69
0.242
MAR-TRE-87acfbcc-6
0.239
MAR-TRE-87acfbcc-85
0.239
MAR-TRE-87acfbcc-24
0.233
MAR-TRE-87acfbcc-1
0.233
MAR-TRE-87acfbcc-3
0.232
MAR-TRE-87acfbcc-60
0.230
MAR-TRE-87acfbcc-75
0.228
MAR-TRE-87acfbcc-84
0.224
MAR-TRE-87acfbcc-27
0.219
MAR-TRE-87acfbcc-82
0.219
MAR-TRE-87acfbcc-52
0.216
MAR-TRE-87acfbcc-39
0.213
MAR-TRE-87acfbcc-96
0.211
MAR-TRE-87acfbcc-23
0.210
MAK-UNK-7732b35b-24
0.209
MAK-UNK-7732b35b-25
0.206
MAR-TRE-87acfbcc-66
0.205
MAR-TRE-87acfbcc-78
0.205
MAR-TRE-87acfbcc-18
0.205
MAR-TRE-a78003aa-11
0.203
MAR-TRE-87acfbcc-77
0.203
MAR-TRE-87acfbcc-40
0.200