Molecular Properties | |
SMILES: | O=CNC(NC=O)N(C=O)c1cnc(CCl)[nH]1 |
MW: | 259.05 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 107.19 |
cLogP: | -1.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
aldehyde
het-C-het not in ring
Filter6_benzyl_halide
Filter38_aldehyde
acyclic N-C-N
aldehyde
Alkyl Halide
geminal_amines
formate_formide
MAR-TRE-87acfbcc-68
0.441
MAR-TRE-87acfbcc-26
0.382
MAR-TRE-87acfbcc-69
0.350
MAR-TRE-87acfbcc-64
0.348
MAR-TRE-87acfbcc-92
0.344
MAR-TRE-87acfbcc-6
0.338
MAR-TRE-87acfbcc-74
0.338
MAR-TRE-87acfbcc-24
0.328
MAR-TRE-87acfbcc-82
0.313
MAR-TRE-87acfbcc-27
0.313
MAR-TRE-87acfbcc-23
0.311
MAR-TRE-87acfbcc-39
0.304
MAR-TRE-87acfbcc-66
0.299
MAR-TRE-87acfbcc-12
0.295
MAR-TRE-87acfbcc-52
0.290
MAR-TRE-87acfbcc-77
0.288
MAR-TRE-87acfbcc-90
0.286
MAR-TRE-87acfbcc-96
0.282
MAR-TRE-87acfbcc-79
0.279
MAR-TRE-87acfbcc-48
0.277
MAR-TRE-87acfbcc-36
0.270
MAR-TRE-87acfbcc-41
0.270
MAR-TRE-87acfbcc-86
0.270
MAR-TRE-87acfbcc-31
0.269
MAR-TRE-87acfbcc-3
0.266
MAR-TRE-87acfbcc-38
0.266
MAR-TRE-87acfbcc-1
0.265
MAR-TRE-87acfbcc-17
0.263
MAR-TRE-87acfbcc-40
0.263
MAR-TRE-87acfbcc-13
0.262
MAR-TRE-87acfbcc-91
0.262
MAR-TRE-87acfbcc-4
0.258
MAR-TRE-87acfbcc-20
0.258
MAR-TRE-87acfbcc-55
0.258
MAR-TRE-87acfbcc-45
0.258
MAR-TRE-87acfbcc-37
0.258
MAR-TRE-87acfbcc-7
0.258
MAR-TRE-87acfbcc-15
0.258
MAR-TRE-87acfbcc-49
0.258
MAR-TRE-87acfbcc-98
0.258
MAR-TRE-87acfbcc-99
0.257
MAR-TRE-87acfbcc-11
0.254
MAR-TRE-87acfbcc-47
0.254
MAR-TRE-87acfbcc-62
0.254
MAR-TRE-87acfbcc-71
0.254
MAR-TRE-87acfbcc-5
0.253
MAR-TRE-87acfbcc-76
0.250
MAR-TRE-87acfbcc-100
0.250
MAR-TRE-87acfbcc-33
0.250
MAR-TRE-87acfbcc-73
0.247
MAR-TRE-87acfbcc-95
0.247
MAR-TRE-87acfbcc-21
0.246
MAR-TRE-87acfbcc-46
0.246
MAR-TRE-87acfbcc-50
0.246
MAR-TRE-87acfbcc-70
0.246
MAR-TRE-87acfbcc-16
0.243
MAR-TRE-87acfbcc-93
0.243
MAR-TRE-87acfbcc-2
0.239
MAR-TRE-87acfbcc-14
0.239
MAR-TRE-87acfbcc-32
0.239
MAR-TRE-87acfbcc-28
0.239
MAR-TRE-87acfbcc-58
0.239
MAR-TRE-87acfbcc-57
0.239
MAR-TRE-87acfbcc-89
0.239
MAR-TRE-87acfbcc-67
0.236
MAR-TRE-87acfbcc-9
0.236
MAR-TRE-423310b6-75
0.236
MAR-TRE-87acfbcc-22
0.236
MAR-TRE-87acfbcc-87
0.236
MAR-TRE-87acfbcc-8
0.235
MAR-TRE-87acfbcc-56
0.235
MAR-TRE-87acfbcc-35
0.233
MAR-TRE-87acfbcc-10
0.233
MAR-TRE-87acfbcc-63
0.233
MAR-TRE-87acfbcc-19
0.230
MAR-TRE-87acfbcc-34
0.230
MAR-TRE-87acfbcc-44
0.230
MAR-TRE-87acfbcc-88
0.229
MAR-TRE-87acfbcc-51
0.227
MAR-TRE-87acfbcc-25
0.227
MAR-TRE-87acfbcc-97
0.227
MAR-TRE-87acfbcc-94
0.227
MAR-TRE-87acfbcc-85
0.225
MAR-TRE-87acfbcc-78
0.224
MAR-TRE-87acfbcc-53
0.224
MAR-TRE-87acfbcc-61
0.224
MAR-TRE-87acfbcc-54
0.222
MAR-TRE-87acfbcc-59
0.221
MAR-TRE-87acfbcc-65
0.220
MAR-TRE-87acfbcc-72
0.219
MAR-TRE-87acfbcc-75
0.215
MAR-TRE-87acfbcc-42
0.213
MAR-TRE-87acfbcc-80
0.211
MAR-TRE-87acfbcc-43
0.208
MAR-TRE-87acfbcc-83
0.208
MAR-TRE-87acfbcc-29
0.207
MAR-TRE-87acfbcc-60
0.200
MAR-TRE-87acfbcc-81
0.198
MAR-TRE-87acfbcc-18
0.193
MAR-TRE-423310b6-26
0.191