Molecular Properties | |
SMILES: | CC(=O)N(CC(=O)O)c1cnc(CCl)[nH]1 |
MW: | 231.04 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.29 |
cLogP: | 0.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-92
0.723
MAR-TRE-87acfbcc-6
0.654
MAR-TRE-87acfbcc-82
0.642
MAR-TRE-87acfbcc-26
0.562
MAR-TRE-87acfbcc-27
0.500
MAR-TRE-87acfbcc-3
0.478
MAR-TRE-87acfbcc-39
0.435
MAR-TRE-87acfbcc-77
0.431
MAR-TRE-87acfbcc-74
0.429
MAR-TRE-87acfbcc-68
0.424
MAR-TRE-85681e92-77
0.412
MAR-TRE-87acfbcc-24
0.397
MAR-TRE-87acfbcc-1
0.387
MAR-TRE-87acfbcc-23
0.371
MAR-TRE-87acfbcc-31
0.361
MAR-TRE-87acfbcc-38
0.356
MAR-TRE-87acfbcc-79
0.351
MAR-TRE-87acfbcc-30
0.350
MAR-TRE-87acfbcc-41
0.339
MAR-TRE-87acfbcc-36
0.339
MAR-TRE-87acfbcc-47
0.339
MAR-TRE-87acfbcc-52
0.333
MAR-TRE-87acfbcc-96
0.324
MAR-TRE-87acfbcc-66
0.323
MAR-TRE-87acfbcc-49
0.323
MAR-TRE-87acfbcc-7
0.323
MAR-TRE-87acfbcc-20
0.323
MAR-TRE-87acfbcc-15
0.323
MAR-TRE-87acfbcc-12
0.322
MAR-TRE-87acfbcc-62
0.317
MAR-TRE-87acfbcc-86
0.317
MAR-TRE-87acfbcc-64
0.313
MAR-TRE-87acfbcc-87
0.313
MAR-TRE-87acfbcc-46
0.308
MAR-TRE-87acfbcc-21
0.308
MAR-TRE-87acfbcc-91
0.306
MAR-TRE-87acfbcc-13
0.306
MAR-TRE-87acfbcc-16
0.303
MAR-TRE-87acfbcc-85
0.303
MAR-TRE-87acfbcc-48
0.302
MAR-TRE-87acfbcc-40
0.299
MAR-TRE-87acfbcc-2
0.299
MAR-TRE-87acfbcc-58
0.299
MAR-TRE-87acfbcc-11
0.297
MAR-TRE-85681e92-55
0.295
MAR-TRE-87acfbcc-9
0.294
MAR-TRE-87acfbcc-22
0.294
MAR-TRE-87acfbcc-67
0.294
MAR-TRE-87acfbcc-35
0.290
MAR-TRE-87acfbcc-63
0.290
MAR-TRE-85681e92-81
0.288
MAR-TRE-87acfbcc-50
0.288
MAR-TRE-87acfbcc-95
0.286
MAR-TRE-87acfbcc-42
0.286
MAR-TRE-87acfbcc-25
0.282
MAR-TRE-87acfbcc-28
0.279
MAR-TRE-87acfbcc-32
0.279
MAR-TRE-87acfbcc-99
0.278
MAR-TRE-87acfbcc-53
0.278
MAR-TRE-423310b6-76
0.274
MAR-TRE-87acfbcc-59
0.274
MAR-TRE-87acfbcc-5
0.274
MAR-TRE-87acfbcc-100
0.273
MAR-TRE-87acfbcc-90
0.268
MAR-TRE-87acfbcc-19
0.268
MAR-TRE-87acfbcc-17
0.267
MAR-TRE-87acfbcc-97
0.264
MAR-TRE-87acfbcc-51
0.264
MAR-TRE-87acfbcc-4
0.262
MAR-TRE-87acfbcc-55
0.262
MAR-TRE-87acfbcc-57
0.261
MAR-TRE-87acfbcc-61
0.260
MAR-TRE-87acfbcc-71
0.258
MAR-TRE-87acfbcc-8
0.258
MAR-TRE-87acfbcc-33
0.254
MAR-TRE-87acfbcc-34
0.250
MAR-TRE-87acfbcc-80
0.250
MAR-TRE-87acfbcc-88
0.250
MAR-TRE-87acfbcc-94
0.247
MAR-TRE-87acfbcc-93
0.246
MAR-TRE-87acfbcc-43
0.246
MAR-TRE-85681e92-65
0.246
MAR-TRE-87acfbcc-84
0.244
MAR-TRE-87acfbcc-14
0.243
MAR-TRE-87acfbcc-54
0.243
MAR-TRE-87acfbcc-98
0.242
MAR-TRE-85681e92-41
0.242
MAR-TRE-87acfbcc-45
0.242
MAR-TRE-87acfbcc-37
0.242
MAR-TRE-87acfbcc-89
0.242
MAR-TRE-87acfbcc-29
0.241
VIK-SYN-9a3d118a-8
0.240
MAR-TRE-423310b6-13
0.239
MAR-TRE-423310b6-70
0.239
MAR-TRE-87acfbcc-72
0.239
MAR-TRE-87acfbcc-56
0.239
THO-SYG-f9b2970d-3
0.238
MAR-TRE-87acfbcc-18
0.238
MAR-TRE-85681e92-22
0.238
MAR-TRE-87acfbcc-65
0.237