Molecular Properties | |
SMILES: | N=C(N)SCCCSC(=N)Nc1cnc(CCl)[nH]1 |
MW: | 306.05 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 6 |
TPSA: | 114.43 |
cLogP: | 2.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Filter6_benzyl_halide
N:C-SCH2 groups
acyclic C=N-H
Imine 3
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-10
0.655
MAR-TRE-87acfbcc-4
0.483
MAR-TRE-87acfbcc-48
0.369
MAR-TRE-87acfbcc-12
0.328
MAR-TRE-87acfbcc-8
0.324
MAR-TRE-87acfbcc-11
0.324
MAR-TRE-87acfbcc-90
0.322
MAR-TRE-87acfbcc-53
0.320
MAR-TRE-87acfbcc-13
0.313
MAR-TRE-87acfbcc-29
0.312
MAR-TRE-87acfbcc-79
0.312
MAR-TRE-87acfbcc-16
0.310
MAR-TRE-87acfbcc-15
0.309
MAR-TRE-87acfbcc-98
0.309
MAR-TRE-87acfbcc-45
0.309
MAR-TRE-87acfbcc-89
0.309
MAR-TRE-87acfbcc-51
0.307
MAR-TRE-87acfbcc-97
0.307
MAR-TRE-87acfbcc-54
0.306
MAR-TRE-87acfbcc-41
0.303
MAR-TRE-87acfbcc-36
0.303
MAR-TRE-87acfbcc-86
0.303
MAR-TRE-87acfbcc-9
0.301
MAR-TRE-87acfbcc-33
0.300
MAR-TRE-87acfbcc-38
0.299
MAR-TRE-87acfbcc-70
0.299
MAR-TRE-87acfbcc-21
0.296
MAR-TRE-87acfbcc-46
0.296
MAR-TRE-87acfbcc-91
0.294
MAR-TRE-87acfbcc-92
0.294
MAR-TRE-423310b6-67
0.293
MAR-TRE-87acfbcc-95
0.293
MAR-TRE-87acfbcc-44
0.293
MAR-TRE-87acfbcc-65
0.293
MAR-TRE-87acfbcc-93
0.292
MAR-TRE-87acfbcc-7
0.290
MAR-TRE-87acfbcc-49
0.290
MAR-TRE-87acfbcc-55
0.290
MAR-TRE-87acfbcc-20
0.290
MAR-TRE-87acfbcc-2
0.288
MAR-TRE-87acfbcc-58
0.288
MAR-TRE-87acfbcc-81
0.287
MAR-TRE-87acfbcc-47
0.286
MAR-TRE-87acfbcc-62
0.286
MAR-TRE-87acfbcc-61
0.286
MAR-TRE-87acfbcc-99
0.286
MAR-TRE-87acfbcc-22
0.284
MAR-TRE-87acfbcc-76
0.282
MAR-TRE-4f39ef4a-43
0.282
MAR-TRE-87acfbcc-63
0.280
MAR-TRE-87acfbcc-50
0.278
MAR-TRE-87acfbcc-25
0.273
MAR-TRE-87acfbcc-37
0.271
MAR-TRE-87acfbcc-32
0.270
MAR-TRE-87acfbcc-28
0.270
MAR-TRE-87acfbcc-83
0.269
MAR-TRE-87acfbcc-71
0.268
MAR-TRE-423310b6-8
0.268
MAR-TRE-87acfbcc-72
0.267
MAR-TRE-87acfbcc-67
0.267
MAR-TRE-87acfbcc-87
0.267
MAR-TRE-87acfbcc-5
0.266
MAR-TRE-87acfbcc-100
0.264
MAR-TRE-87acfbcc-35
0.263
MAR-TRE-87acfbcc-19
0.260
MAR-TRE-87acfbcc-34
0.260
MAR-TRE-87acfbcc-6
0.257
MAR-TRE-87acfbcc-59
0.250
MAR-TRE-87acfbcc-73
0.244
MAR-TRE-87acfbcc-69
0.243
MAR-TRE-87acfbcc-26
0.242
MAR-TRE-87acfbcc-23
0.241
MAR-TRE-87acfbcc-94
0.241
MAR-TRE-87acfbcc-66
0.240
MAR-TRE-87acfbcc-30
0.239
MAR-TRE-87acfbcc-82
0.237
MAR-TRE-87acfbcc-27
0.237
MAR-TRE-87acfbcc-24
0.234
MAR-TRE-87acfbcc-68
0.230
MAR-TRE-87acfbcc-80
0.227
MAR-TRE-87acfbcc-78
0.222
MAR-TRE-87acfbcc-1
0.220
MAR-TRE-87acfbcc-3
0.218
MAR-TRE-87acfbcc-64
0.218
MAR-TRE-87acfbcc-52
0.218
MAR-TRE-87acfbcc-39
0.215
MAR-TRE-87acfbcc-74
0.212
MAR-TRE-87acfbcc-88
0.211
MAR-TRE-87acfbcc-85
0.208
MAR-TRE-87acfbcc-43
0.208
MAR-TRE-87acfbcc-31
0.207
MAR-TRE-87acfbcc-18
0.207
MAR-TRE-87acfbcc-57
0.205
MAR-TRE-a78003aa-77
0.202
MAR-TRE-87acfbcc-75
0.200
MAR-TRE-87acfbcc-17
0.200
MAR-TRE-87acfbcc-56
0.200
MAR-TRE-87acfbcc-84
0.198
MAR-TRE-87acfbcc-42
0.198
MAR-TRE-87acfbcc-96
0.198