Molecular Properties | |
SMILES: | CC(O)C(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 233.06 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 98.24 |
cLogP: | 0.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-36
0.756
MAR-TRE-87acfbcc-47
0.694
MAR-TRE-87acfbcc-79
0.638
MAR-TRE-87acfbcc-35
0.618
MAR-TRE-87acfbcc-41
0.580
MAR-TRE-87acfbcc-7
0.577
MAR-TRE-87acfbcc-20
0.547
MAR-TRE-87acfbcc-15
0.547
MAR-TRE-87acfbcc-12
0.529
MAR-TRE-87acfbcc-91
0.528
MAR-TRE-87acfbcc-21
0.518
MAR-TRE-87acfbcc-11
0.509
MAR-TRE-87acfbcc-16
0.509
MAR-TRE-87acfbcc-13
0.500
MAR-TRE-87acfbcc-25
0.492
MAR-TRE-87acfbcc-87
0.492
MAR-TRE-87acfbcc-22
0.492
MAR-TRE-87acfbcc-9
0.492
MAR-TRE-87acfbcc-67
0.492
MAR-TRE-87acfbcc-50
0.491
MAR-TRE-87acfbcc-59
0.476
MAR-TRE-87acfbcc-2
0.475
MAR-TRE-87acfbcc-28
0.475
MAR-TRE-87acfbcc-46
0.466
MAR-TRE-87acfbcc-63
0.459
MAR-TRE-87acfbcc-5
0.453
MAR-TRE-87acfbcc-95
0.452
MAR-TRE-87acfbcc-19
0.452
MAR-TRE-87acfbcc-51
0.444
MAR-TRE-87acfbcc-72
0.443
MAR-TRE-87acfbcc-53
0.438
MAR-TRE-85681e92-92
0.431
MAR-TRE-87acfbcc-8
0.431
MAR-TRE-87acfbcc-97
0.422
MAR-TRE-87acfbcc-99
0.415
MAR-TRE-87acfbcc-83
0.415
MAR-TRE-423310b6-49
0.414
MAR-TRE-87acfbcc-86
0.411
MAR-TRE-87acfbcc-71
0.407
MAR-TRE-87acfbcc-70
0.404
MAR-TRE-87acfbcc-90
0.392
MAR-TRE-87acfbcc-49
0.390
MAR-TRE-87acfbcc-48
0.390
MAR-TRE-87acfbcc-62
0.383
MAR-TRE-87acfbcc-37
0.367
MAR-TRE-87acfbcc-55
0.367
MAR-TRE-87acfbcc-58
0.359
MAR-TRE-87acfbcc-32
0.359
MAR-TRE-87acfbcc-69
0.356
MAR-TRE-87acfbcc-33
0.355
MAR-TRE-87acfbcc-61
0.353
MAR-TRE-87acfbcc-6
0.344
MAR-TRE-87acfbcc-29
0.342
MAR-TRE-87acfbcc-26
0.339
MAR-TRE-87acfbcc-100
0.333
MAR-TRE-423310b6-54
0.328
MAR-TRE-87acfbcc-44
0.324
MAR-TRE-87acfbcc-4
0.323
MAR-TRE-87acfbcc-45
0.323
MAR-TRE-87acfbcc-89
0.323
MAR-TRE-87acfbcc-3
0.320
MAR-TRE-423310b6-83
0.312
MAR-TRE-87acfbcc-68
0.312
MAR-TRE-87acfbcc-10
0.309
MAR-TRE-87acfbcc-92
0.306
MAR-TRE-87acfbcc-34
0.304
MAR-TRE-87acfbcc-93
0.303
MAR-TRE-87acfbcc-65
0.303
MAR-TRE-87acfbcc-98
0.302
MAR-TRE-87acfbcc-1
0.300
MAR-TRE-a78003aa-11
0.299
MAR-TRE-87acfbcc-54
0.299
MAR-TRE-87acfbcc-14
0.299
MAR-TRE-87acfbcc-24
0.294
MAR-TRE-87acfbcc-76
0.292
MAR-TRE-87acfbcc-77
0.292
MAR-TRE-87acfbcc-74
0.286
MAR-TRE-87acfbcc-85
0.284
MAR-TRE-87acfbcc-94
0.282
MAR-TRE-a78003aa-51
0.281
MAR-TRE-a78003aa-27
0.281
MAR-TRE-87acfbcc-81
0.280
MAR-TRE-87acfbcc-23
0.280
MAR-TRE-87acfbcc-27
0.279
MAR-TRE-87acfbcc-82
0.279
MAR-TRE-85681e92-57
0.276
MAR-TRE-a78003aa-16
0.273
MAR-TRE-87acfbcc-39
0.271
MAR-TRE-87acfbcc-73
0.268
MAR-TRE-87acfbcc-42
0.268
MAR-TRE-85681e92-73
0.267
MAR-TRE-87acfbcc-30
0.266
MAR-TRE-a78003aa-43
0.262
MAR-TRE-85681e92-49
0.262
MAR-TRE-85681e92-88
0.258
MAR-TRE-87acfbcc-56
0.258
MAR-TRE-a78003aa-4
0.258
MAR-TRE-423310b6-22
0.258
MAR-TRE-87acfbcc-31
0.256
MAR-TRE-aca67d11-78
0.254