Molecular Properties | |
SMILES: | NC(CSCC(N)C(=O)c1nc(O)sc1CCl)C(=O)O |
MW: | 339.01 |
Fraction sp3: | 0.5 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 139.53 |
cLogP: | 0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
amino acid
Ketone
Long aliphatic chain
Alkyl Halide
MAR-TRE-aca67d11-74
0.579
MAR-TRE-aca67d11-26
0.567
MAR-TRE-aca67d11-52
0.542
MAR-TRE-aca67d11-27
0.518
MAR-TRE-aca67d11-53
0.509
MAR-TRE-aca67d11-78
0.509
MAR-TRE-aca67d11-71
0.500
MAR-TRE-aca67d11-38
0.500
MAR-TRE-aca67d11-100
0.492
MAR-TRE-aca67d11-37
0.483
MAR-TRE-aca67d11-58
0.467
MAR-TRE-aca67d11-25
0.462
MAR-TRE-aca67d11-54
0.460
MAR-TRE-aca67d11-10
0.446
MAR-TRE-aca67d11-7
0.426
MAR-TRE-aca67d11-46
0.414
MAR-TRE-aca67d11-30
0.406
MAR-TRE-aca67d11-43
0.400
MAR-TRE-aca67d11-59
0.397
MAR-TRE-aca67d11-62
0.386
MAR-TRE-aca67d11-63
0.385
MAR-TRE-aca67d11-23
0.382
MAR-TRE-aca67d11-36
0.382
MAR-TRE-aca67d11-65
0.381
MAR-TRE-aca67d11-95
0.379
MAR-TRE-aca67d11-72
0.377
MAR-TRE-aca67d11-40
0.375
MAR-TRE-aca67d11-79
0.373
MAR-TRE-36bf7dba-1
0.371
MAR-TRE-aca67d11-77
0.371
MAR-TRE-aca67d11-96
0.364
MAR-TRE-aca67d11-15
0.364
MAR-TRE-aca67d11-97
0.362
MAR-TRE-aca67d11-66
0.361
MAR-TRE-aca67d11-56
0.357
MAR-TRE-aca67d11-60
0.355
MAR-TRE-aca67d11-68
0.354
MAR-TRE-aca67d11-20
0.354
MAR-TRE-aca67d11-84
0.351
MAR-TRE-aca67d11-75
0.349
MAR-TRE-aca67d11-42
0.348
MAR-TRE-aca67d11-22
0.347
MAR-TRE-aca67d11-13
0.343
MAR-TRE-aca67d11-16
0.343
MAR-TRE-aca67d11-21
0.343
MAR-TRE-aca67d11-85
0.343
MAR-TRE-aca67d11-89
0.343
MAR-TRE-aca67d11-11
0.343
MAR-TRE-aca67d11-14
0.343
MAR-TRE-aca67d11-34
0.343
MAR-TRE-aca67d11-2
0.342
MAR-TRE-aca67d11-90
0.338
MAR-TRE-aca67d11-82
0.338
MAR-TRE-aca67d11-31
0.338
MAR-TRE-aca67d11-83
0.338
MAR-TRE-aca67d11-93
0.333
MAR-TRE-aca67d11-12
0.333
MAR-TRE-aca67d11-47
0.333
MAR-TRE-aca67d11-69
0.333
MAR-TRE-aca67d11-73
0.329
MAR-TRE-aca67d11-70
0.329
MAR-TRE-aca67d11-81
0.329
MAR-TRE-aca67d11-64
0.328
MAR-TRE-423310b6-31
0.324
MAR-TRE-aca67d11-91
0.319
MAR-TRE-aca67d11-6
0.319
MAR-TRE-aca67d11-39
0.319
MAR-TRE-aca67d11-67
0.319
MAR-TRE-aca67d11-86
0.319
MAR-TRE-aca67d11-55
0.319
MAR-TRE-aca67d11-94
0.319
MAR-TRE-aca67d11-29
0.311
MAR-TRE-36bf7dba-22
0.311
MAR-TRE-aca67d11-4
0.307
MAR-TRE-aca67d11-44
0.307
MAR-TRE-aca67d11-3
0.307
MAR-TRE-aca67d11-19
0.305
MAR-TRE-aca67d11-49
0.304
MAR-TRE-aca67d11-8
0.303
MAR-TRE-aca67d11-18
0.303
MAR-TRE-aca67d11-1
0.297
MAR-TRE-aca67d11-45
0.297
MAR-TRE-aca67d11-33
0.293
MAR-TRE-aca67d11-76
0.293
MAR-TRE-aca67d11-9
0.291
MAR-TRE-aca67d11-28
0.287
MAR-TRE-4f39ef4a-35
0.284
MAR-TRE-aca67d11-5
0.282
MAR-TRE-aca67d11-48
0.277
MAR-TRE-aca67d11-87
0.277
MAR-TRE-8a25d817-41
0.269
MAR-TRE-aca67d11-41
0.265
MAR-TRE-aca67d11-50
0.261
MAR-TRE-aca67d11-61
0.250
MAR-TRE-36bf7dba-34
0.247
MAR-TRE-aca67d11-98
0.246
MAR-TRE-aca67d11-17
0.243
MAR-TRE-36bf7dba-23
0.240
MAR-TRE-aca67d11-92
0.233
MAR-TRE-aca67d11-35
0.230