Molecular Properties | |
SMILES: | CC(C)C(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 231.08 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-38
0.756
MAR-TRE-87acfbcc-47
0.708
MAR-TRE-87acfbcc-79
0.652
MAR-TRE-87acfbcc-35
0.630
MAR-TRE-87acfbcc-41
0.592
MAR-TRE-87acfbcc-7
0.588
MAR-TRE-87acfbcc-15
0.558
MAR-TRE-87acfbcc-20
0.558
MAR-TRE-87acfbcc-12
0.540
MAR-TRE-87acfbcc-91
0.538
MAR-TRE-87acfbcc-21
0.527
MAR-TRE-87acfbcc-11
0.519
MAR-TRE-87acfbcc-16
0.518
MAR-TRE-87acfbcc-13
0.509
MAR-TRE-87acfbcc-28
0.509
MAR-TRE-87acfbcc-9
0.500
MAR-TRE-87acfbcc-22
0.500
MAR-TRE-87acfbcc-25
0.500
MAR-TRE-87acfbcc-50
0.500
MAR-TRE-87acfbcc-67
0.500
MAR-TRE-87acfbcc-87
0.500
MAR-TRE-87acfbcc-59
0.484
MAR-TRE-87acfbcc-2
0.483
MAR-TRE-87acfbcc-46
0.474
MAR-TRE-87acfbcc-63
0.467
MAR-TRE-87acfbcc-5
0.460
MAR-TRE-87acfbcc-19
0.459
MAR-TRE-87acfbcc-95
0.459
MAR-TRE-87acfbcc-51
0.452
MAR-TRE-87acfbcc-53
0.444
MAR-TRE-87acfbcc-99
0.444
MAR-TRE-87acfbcc-8
0.439
MAR-TRE-87acfbcc-97
0.429
MAR-TRE-87acfbcc-72
0.426
MAR-TRE-87acfbcc-83
0.422
MAR-TRE-87acfbcc-86
0.418
MAR-TRE-87acfbcc-71
0.414
MAR-TRE-87acfbcc-70
0.411
MAR-TRE-423310b6-54
0.404
MAR-TRE-87acfbcc-48
0.397
MAR-TRE-87acfbcc-49
0.397
MAR-TRE-87acfbcc-62
0.390
MAR-TRE-87acfbcc-55
0.373
MAR-TRE-87acfbcc-90
0.373
MAR-TRE-87acfbcc-32
0.365
MAR-TRE-87acfbcc-58
0.365
MAR-TRE-87acfbcc-61
0.358
MAR-TRE-87acfbcc-37
0.350
MAR-TRE-87acfbcc-29
0.347
MAR-TRE-87acfbcc-26
0.345
MAR-TRE-87acfbcc-69
0.339
MAR-TRE-87acfbcc-33
0.339
MAR-TRE-87acfbcc-100
0.339
MAR-TRE-87acfbcc-6
0.328
MAR-TRE-87acfbcc-4
0.328
MAR-TRE-423310b6-49
0.328
MAR-TRE-423310b6-83
0.317
MAR-TRE-87acfbcc-68
0.317
MAR-TRE-87acfbcc-10
0.313
MAR-TRE-87acfbcc-92
0.311
MAR-TRE-85681e92-92
0.309
MAR-TRE-87acfbcc-34
0.309
MAR-TRE-87acfbcc-44
0.309
MAR-TRE-87acfbcc-93
0.308
MAR-TRE-87acfbcc-3
0.307
MAR-TRE-87acfbcc-65
0.307
MAR-TRE-a78003aa-27
0.306
MAR-TRE-87acfbcc-45
0.306
MAR-TRE-87acfbcc-89
0.306
MAR-TRE-87acfbcc-98
0.306
MAR-TRE-87acfbcc-1
0.304
MAR-TRE-87acfbcc-14
0.303
MAR-TRE-87acfbcc-54
0.303
MAR-TRE-423310b6-22
0.302
MAR-TRE-87acfbcc-24
0.299
MAR-TRE-87acfbcc-76
0.297
MAR-TRE-87acfbcc-77
0.296
MAR-TRE-87acfbcc-39
0.294
MAR-TRE-87acfbcc-42
0.290
MAR-TRE-87acfbcc-74
0.290
MAR-TRE-87acfbcc-85
0.288
MAR-TRE-423310b6-23
0.288
MAR-TRE-87acfbcc-94
0.286
MAR-TRE-87acfbcc-23
0.284
MAR-TRE-87acfbcc-81
0.284
MAR-TRE-87acfbcc-82
0.284
MAR-TRE-87acfbcc-27
0.284
MAR-TRE-87acfbcc-31
0.276
MAR-TRE-87acfbcc-73
0.271
MAR-TRE-87acfbcc-30
0.270
MAR-TRE-a78003aa-51
0.266
MAR-TRE-a78003aa-43
0.266
MAR-TRE-a78003aa-11
0.265
MAR-TRE-87acfbcc-56
0.262
MAR-TRE-a78003aa-8
0.261
MAR-TRE-423310b6-42
0.258
MAR-TRE-a78003aa-91
0.258
MAR-TRE-a78003aa-16
0.258
MAR-TRE-423310b6-72
0.254
MAR-TRE-423310b6-82
0.254