Molecular Properties | |
SMILES: | O=C(O)CNC(=O)CNc1cnc(CCl)[nH]1 |
MW: | 246.05 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 107.11 |
cLogP: | -0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-62
0.574
MAR-TRE-87acfbcc-86
0.558
MAR-TRE-87acfbcc-32
0.483
MAR-TRE-85681e92-61
0.463
MAR-TRE-87acfbcc-90
0.460
MAR-TRE-87acfbcc-58
0.459
MAR-TRE-423310b6-17
0.433
MAR-TRE-87acfbcc-55
0.424
MAR-TRE-87acfbcc-79
0.411
MAR-TRE-87acfbcc-76
0.410
MAR-TRE-87acfbcc-61
0.403
MAR-TRE-87acfbcc-7
0.400
MAR-TRE-87acfbcc-98
0.400
MAR-TRE-87acfbcc-4
0.400
MAR-TRE-87acfbcc-93
0.397
MAR-TRE-87acfbcc-36
0.397
MAR-TRE-87acfbcc-41
0.397
MAR-TRE-87acfbcc-54
0.391
MAR-TRE-87acfbcc-38
0.390
MAR-TRE-87acfbcc-33
0.387
MAR-TRE-87acfbcc-91
0.383
MAR-TRE-87acfbcc-46
0.381
MAR-TRE-87acfbcc-50
0.381
MAR-TRE-87acfbcc-12
0.379
MAR-TRE-87acfbcc-15
0.377
MAR-TRE-87acfbcc-20
0.377
MAR-TRE-87acfbcc-45
0.377
MAR-TRE-87acfbcc-89
0.377
MAR-TRE-87acfbcc-73
0.373
MAR-TRE-87acfbcc-44
0.373
MAR-TRE-87acfbcc-47
0.371
MAR-TRE-87acfbcc-28
0.369
MAR-TRE-87acfbcc-2
0.369
MAR-TRE-87acfbcc-94
0.368
MAR-TRE-87acfbcc-51
0.368
MAR-TRE-87acfbcc-13
0.361
MAR-TRE-87acfbcc-21
0.359
MAR-TRE-87acfbcc-63
0.358
MAR-TRE-87acfbcc-35
0.358
MAR-TRE-87acfbcc-48
0.355
MAR-TRE-87acfbcc-16
0.354
MAR-TRE-87acfbcc-95
0.353
MAR-TRE-87acfbcc-19
0.353
MAR-TRE-87acfbcc-34
0.353
MAR-TRE-87acfbcc-26
0.351
MAR-TRE-87acfbcc-11
0.349
MAR-TRE-87acfbcc-25
0.348
MAR-TRE-87acfbcc-9
0.343
MAR-TRE-87acfbcc-67
0.343
MAR-TRE-87acfbcc-87
0.343
MAR-TRE-87acfbcc-22
0.343
MAR-TRE-87acfbcc-53
0.343
MAR-TRE-87acfbcc-81
0.342
MAR-TRE-87acfbcc-74
0.333
MAR-TRE-87acfbcc-8
0.328
MAR-TRE-87acfbcc-71
0.328
MAR-TRE-87acfbcc-99
0.324
MAR-TRE-87acfbcc-100
0.323
MAR-TRE-87acfbcc-69
0.323
MAR-TRE-87acfbcc-59
0.319
MAR-TRE-87acfbcc-5
0.319
MAR-TRE-87acfbcc-6
0.313
MAR-TRE-87acfbcc-37
0.312
MAR-TRE-87acfbcc-97
0.310
MAR-TRE-87acfbcc-72
0.304
MAR-TRE-87acfbcc-70
0.302
MAR-TRE-87acfbcc-10
0.300
MAR-TRE-87acfbcc-39
0.300
MAR-TRE-87acfbcc-29
0.299
MAR-TRE-87acfbcc-3
0.295
MAR-TRE-87acfbcc-85
0.294
MAR-TRE-87acfbcc-14
0.290
MAR-TRE-87acfbcc-83
0.288
MAR-TRE-87acfbcc-24
0.286
MAR-TRE-87acfbcc-77
0.284
MAR-TRE-87acfbcc-68
0.284
MAR-TRE-87acfbcc-65
0.278
MAR-TRE-87acfbcc-42
0.278
MAR-TRE-87acfbcc-92
0.277
MAR-TRE-6a44bbf2-81
0.269
MAR-TRE-a78003aa-85
0.266
MAR-TRE-87acfbcc-1
0.262
AAR-POS-0daf6b7e-20
0.258
MAR-TRE-87acfbcc-30
0.258
MAR-UCB-195bc32d-22
0.257
MAR-TRE-a3327163-11
0.257
MAR-TRE-87acfbcc-82
0.254
MAR-TRE-87acfbcc-57
0.254
MAR-TRE-87acfbcc-27
0.254
MAK-UNK-af83ef51-13
0.254
MAR-TRE-87acfbcc-56
0.250
MAR-TRE-87acfbcc-52
0.250
MAR-TRE-87acfbcc-31
0.250
MAR-TRE-423310b6-40
0.246
MAR-TRE-423310b6-89
0.246
MAR-TRE-e86a56b5-99
0.246
MAR-TRE-c8530538-80
0.244
MAR-TRE-87acfbcc-23
0.241
MAR-TRE-87acfbcc-66
0.239
LON-WEI-1908424e-13
0.237