Molecular Properties | |
SMILES: | O=C1CN(c2cnc(CCl)[nH]2)C(=O)NC1=O |
MW: | 242.02 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 95.16 |
cLogP: | -0.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Ketones
Filter6_benzyl_halide
Filter41_12_dicarbonyl
Ketone
Alkyl Halide
MAR-TRE-87acfbcc-85
0.348
MAR-TRE-87acfbcc-57
0.343
MAR-TRE-87acfbcc-80
0.333
MAR-TRE-87acfbcc-88
0.333
MAR-TRE-87acfbcc-42
0.329
MAR-TRE-87acfbcc-60
0.314
MAR-TRE-87acfbcc-43
0.309
MAR-TRE-87acfbcc-75
0.307
MAR-TRE-87acfbcc-78
0.301
MAR-TRE-87acfbcc-2
0.286
MAR-TRE-87acfbcc-41
0.281
MAR-TRE-87acfbcc-84
0.280
MAR-TRE-87acfbcc-90
0.276
MAR-TRE-87acfbcc-18
0.274
MAR-TRE-87acfbcc-91
0.273
MAR-TRE-87acfbcc-79
0.270
MAR-TRE-87acfbcc-7
0.269
MAR-TRE-87acfbcc-15
0.269
MAR-TRE-87acfbcc-37
0.269
MAR-TRE-87acfbcc-12
0.266
MAR-TRE-423310b6-51
0.266
MAR-TRE-87acfbcc-71
0.265
MAR-TRE-87acfbcc-36
0.262
MAR-TRE-87acfbcc-86
0.262
MAR-TRE-87acfbcc-100
0.261
MAR-TRE-87acfbcc-26
0.258
MAR-TRE-87acfbcc-38
0.258
MAR-TRE-87acfbcc-70
0.258
MAR-TRE-87acfbcc-46
0.257
MAR-TRE-87acfbcc-13
0.254
MAR-TRE-87acfbcc-51
0.253
MAR-TRE-87acfbcc-20
0.250
MAR-TRE-87acfbcc-49
0.250
MAR-TRE-87acfbcc-55
0.250
MAR-TRE-87acfbcc-67
0.247
MAR-TRE-87acfbcc-47
0.246
MAR-TRE-87acfbcc-62
0.246
MAR-TRE-87acfbcc-8
0.246
MAR-TRE-87acfbcc-11
0.246
MAR-TRE-87acfbcc-33
0.243
MAR-TRE-87acfbcc-68
0.243
MAR-TRE-423310b6-35
0.242
MAR-TRE-87acfbcc-44
0.240
MAR-TRE-87acfbcc-50
0.239
MAR-TRE-87acfbcc-21
0.239
MAR-TRE-87acfbcc-69
0.239
MAR-TRE-87acfbcc-16
0.236
MAR-TRE-87acfbcc-93
0.236
MAR-TRE-87acfbcc-92
0.235
MAR-TRE-87acfbcc-30
0.235
MAR-TRE-87acfbcc-28
0.233
MAR-TRE-87acfbcc-32
0.233
MAR-TRE-87acfbcc-58
0.233
MAR-TRE-87acfbcc-4
0.232
MAR-TRE-87acfbcc-98
0.232
MAR-TRE-87acfbcc-48
0.232
MAR-TRE-87acfbcc-89
0.232
MAR-TRE-87acfbcc-45
0.232
MAR-TRE-87acfbcc-5
0.231
MAR-TRE-87acfbcc-87
0.230
MAR-TRE-87acfbcc-9
0.230
MAR-TRE-87acfbcc-22
0.230
MAR-TRE-87acfbcc-72
0.230
MAR-TRE-87acfbcc-24
0.230
MAR-TRE-87acfbcc-63
0.227
MAR-TRE-87acfbcc-35
0.227
MAR-TRE-87acfbcc-76
0.225
MAR-TRE-87acfbcc-19
0.224
MAR-TRE-87acfbcc-95
0.224
MAR-TRE-87acfbcc-73
0.224
MAR-TRE-87acfbcc-23
0.222
MAR-TRE-87acfbcc-25
0.221
MAR-TRE-87acfbcc-97
0.221
MAR-TRE-87acfbcc-6
0.219
MAR-TRE-87acfbcc-83
0.218
MAR-TRE-87acfbcc-61
0.218
MAR-TRE-87acfbcc-53
0.218
MAR-TRE-87acfbcc-99
0.218
MAR-TRE-87acfbcc-82
0.216
MAR-TRE-87acfbcc-27
0.216
MAR-TRE-87acfbcc-54
0.216
MAR-TRE-87acfbcc-59
0.215
MAR-TRE-87acfbcc-77
0.215
MAR-TRE-87acfbcc-65
0.214
MAR-TRE-87acfbcc-39
0.211
MAR-TRE-87acfbcc-10
0.211
MAR-TRE-87acfbcc-34
0.208
MAR-TRE-87acfbcc-74
0.208
MAR-TRE-87acfbcc-94
0.205
MAR-TRE-87acfbcc-66
0.203
MAR-TRE-87acfbcc-31
0.202
MAR-TRE-87acfbcc-14
0.200
MAR-TRE-87acfbcc-40
0.198
MAR-TRE-87acfbcc-64
0.197
MAR-TRE-87acfbcc-52
0.197
MAR-TRE-87acfbcc-81
0.193
MAR-TRE-87acfbcc-96
0.192
KEI-TRE-fa9ada3e-13
0.192
MAR-TRE-fffca54f-87
0.192
MAR-TRE-423310b6-48
0.192