Molecular Properties | |
SMILES: | O=C(O)c1cccc(C(=O)c2nc(O)sc2CCl)c1 |
MW: | 296.99 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.49 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-12
0.704
MAR-TRE-aca67d11-8
0.623
MAR-TRE-aca67d11-56
0.610
MAR-TRE-aca67d11-2
0.581
MAR-TRE-aca67d11-22
0.565
MAR-TRE-aca67d11-29
0.565
MAR-TRE-aca67d11-23
0.541
MAR-TRE-aca67d11-83
0.532
MAR-TRE-aca67d11-4
0.531
MAR-TRE-aca67d11-9
0.522
MAR-TRE-aca67d11-69
0.508
MAR-TRE-aca67d11-81
0.500
MAR-TRE-aca67d11-89
0.492
MAR-TRE-aca67d11-85
0.492
MAR-TRE-aca67d11-39
0.484
MAR-TRE-aca67d11-31
0.484
MAR-TRE-aca67d11-86
0.484
MAR-TRE-aca67d11-67
0.484
MAR-TRE-aca67d11-28
0.471
MAR-TRE-aca67d11-82
0.462
MAR-TRE-aca67d11-73
0.448
MAR-TRE-aca67d11-3
0.420
MAR-TRE-aca67d11-93
0.415
MAR-TRE-aca67d11-18
0.414
MAR-TRE-aca67d11-1
0.412
MAR-TRE-aca67d11-70
0.409
MAR-TRE-aca67d11-5
0.408
MAR-TRE-aca67d11-65
0.403
MAR-TRE-aca67d11-10
0.403
MAR-TRE-aca67d11-48
0.395
MAR-TRE-aca67d11-49
0.392
MAR-TRE-aca67d11-46
0.390
MAR-TRE-aca67d11-42
0.388
MAR-TRE-aca67d11-37
0.387
MAR-TRE-aca67d11-30
0.386
MAR-TRE-aca67d11-76
0.386
MAR-TRE-aca67d11-72
0.377
MAR-TRE-aca67d11-40
0.375
MAR-TRE-aca67d11-20
0.375
MAR-TRE-aca67d11-27
0.371
MAR-TRE-aca67d11-7
0.366
MAR-TRE-aca67d11-78
0.365
MAR-TRE-aca67d11-53
0.365
MAR-TRE-aca67d11-38
0.359
MAR-TRE-aca67d11-71
0.359
MAR-TRE-aca67d11-6
0.357
MAR-TRE-aca67d11-60
0.355
MAR-TRE-aca67d11-100
0.354
MAR-TRE-aca67d11-59
0.354
MAR-TRE-aca67d11-84
0.351
MAR-TRE-aca67d11-75
0.349
MAR-TRE-aca67d11-77
0.349
MAR-TRE-aca67d11-33
0.347
MAR-TRE-aca67d11-13
0.343
MAR-TRE-aca67d11-63
0.343
MAR-TRE-aca67d11-21
0.343
MAR-TRE-aca67d11-96
0.343
MAR-TRE-aca67d11-74
0.343
MAR-TRE-aca67d11-80
0.343
MAR-TRE-aca67d11-14
0.343
MAR-TRE-aca67d11-90
0.338
MAR-TRE-aca67d11-94
0.338
MAR-TRE-aca67d11-95
0.338
MAR-TRE-aca67d11-91
0.338
MAR-TRE-aca67d11-68
0.333
MAR-TRE-aca67d11-58
0.333
MAR-TRE-aca67d11-54
0.333
MAR-TRE-aca67d11-41
0.329
MAR-TRE-aca67d11-64
0.328
MAR-TRE-aca67d11-66
0.324
MAR-TRE-aca67d11-11
0.324
MAR-TRE-aca67d11-26
0.324
MAR-TRE-aca67d11-97
0.324
MAR-TRE-aca67d11-16
0.324
MAR-TRE-aca67d11-19
0.321
MAR-TRE-aca67d11-25
0.319
MAR-TRE-aca67d11-52
0.319
MAR-TRE-aca67d11-55
0.319
MAR-TRE-aca67d11-45
0.315
MAR-TRE-aca67d11-47
0.314
MAR-TRE-aca67d11-79
0.314
MAR-TRE-aca67d11-62
0.307
MAR-TRE-8a25d817-18
0.303
MAR-TRE-aca67d11-87
0.297
MAR-TRE-aca67d11-36
0.296
MAR-TRE-aca67d11-43
0.289
MAR-TRE-aca67d11-44
0.289
MAR-TRE-aca67d11-15
0.280
MAR-TRE-8a25d817-48
0.257
MAR-TRE-8a25d817-74
0.253
MAR-TRE-8a25d817-17
0.247
MAR-TRE-aca67d11-35
0.247
MAR-TRE-aca67d11-50
0.243
MAR-TRE-8a25d817-9
0.241
MAR-TRE-aca67d11-24
0.241
MAR-TRE-aca67d11-99
0.238
MAR-TRE-a78003aa-75
0.237
MAR-TRE-36bf7dba-74
0.235
MAR-TRE-aca67d11-61
0.235
MAR-TRE-aca67d11-92
0.233