Molecular Properties | |
SMILES: | O=C(O)CC(C(=O)O)C(Oc1csc(CCl)n1)C(=O)O |
MW: | 322.99 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 134.02 |
cLogP: | 0.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_3_COOH
Filter6_benzyl_halide
too many COOH groups (>1)
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-34
0.469
MAR-TRE-36bf7dba-89
0.460
MAR-TRE-36bf7dba-48
0.459
MAR-TRE-36bf7dba-43
0.459
MAR-TRE-36bf7dba-90
0.459
MAR-TRE-36bf7dba-78
0.457
MAR-TRE-36bf7dba-97
0.452
MAR-TRE-36bf7dba-23
0.444
MAR-TRE-36bf7dba-35
0.443
MAR-TRE-36bf7dba-22
0.439
MAR-TRE-36bf7dba-30
0.439
MAR-TRE-36bf7dba-31
0.438
MAR-TRE-36bf7dba-91
0.435
MAR-TRE-36bf7dba-99
0.435
MAR-TRE-36bf7dba-9
0.429
MAR-TRE-36bf7dba-37
0.426
MAR-TRE-36bf7dba-41
0.424
MAR-TRE-36bf7dba-67
0.424
MAR-TRE-36bf7dba-1
0.424
MAR-TRE-36bf7dba-71
0.423
MAR-TRE-36bf7dba-53
0.415
MAR-TRE-36bf7dba-4
0.415
MAR-TRE-36bf7dba-36
0.409
MAR-TRE-36bf7dba-76
0.408
MAR-TRE-36bf7dba-68
0.408
MAR-TRE-36bf7dba-79
0.406
MAR-TRE-36bf7dba-87
0.403
MAR-TRE-36bf7dba-62
0.394
MAR-TRE-36bf7dba-88
0.384
MAR-TRE-36bf7dba-56
0.380
MAR-TRE-36bf7dba-98
0.380
MAR-TRE-36bf7dba-93
0.380
MAR-TRE-36bf7dba-55
0.375
MAR-TRE-36bf7dba-65
0.373
MAR-TRE-36bf7dba-59
0.371
MAR-TRE-36bf7dba-14
0.371
MAR-TRE-36bf7dba-81
0.369
MAR-TRE-36bf7dba-51
0.368
MAR-TRE-36bf7dba-57
0.361
MAR-TRE-36bf7dba-11
0.360
MAR-TRE-36bf7dba-12
0.358
MAR-TRE-36bf7dba-28
0.357
MAR-TRE-36bf7dba-29
0.356
MAR-TRE-36bf7dba-47
0.351
MAR-TRE-36bf7dba-95
0.347
MAR-TRE-36bf7dba-40
0.347
MAR-TRE-36bf7dba-19
0.343
MAR-TRE-36bf7dba-60
0.343
MAR-TRE-36bf7dba-74
0.342
MAR-TRE-36bf7dba-64
0.342
MAR-TRE-36bf7dba-58
0.342
MAR-TRE-36bf7dba-92
0.342
MAR-TRE-36bf7dba-84
0.338
MAR-TRE-36bf7dba-44
0.329
MAR-TRE-36bf7dba-54
0.329
MAR-TRE-36bf7dba-39
0.329
MAR-TRE-36bf7dba-80
0.329
MAR-TRE-36bf7dba-20
0.324
MAR-TRE-36bf7dba-7
0.323
MAR-TRE-36bf7dba-52
0.321
MAR-TRE-36bf7dba-63
0.321
MAR-TRE-36bf7dba-49
0.318
MAR-TRE-36bf7dba-86
0.318
MAR-TRE-36bf7dba-2
0.318
MAR-TRE-36bf7dba-82
0.317
MAR-TRE-36bf7dba-50
0.314
MAR-TRE-36bf7dba-70
0.313
MAR-TRE-36bf7dba-42
0.312
MAR-TRE-36bf7dba-85
0.312
MAR-TRE-36bf7dba-26
0.311
MAR-TRE-36bf7dba-66
0.309
MAR-TRE-36bf7dba-6
0.308
MAR-TRE-36bf7dba-96
0.307
MAR-TRE-36bf7dba-75
0.305
MAR-TRE-36bf7dba-94
0.303
MAR-TRE-36bf7dba-8
0.300
MAR-TRE-36bf7dba-33
0.300
MAR-TRE-36bf7dba-46
0.293
MAR-TRE-36bf7dba-5
0.290
MAR-TRE-36bf7dba-100
0.288
MAR-TRE-36bf7dba-27
0.287
MAR-TRE-36bf7dba-3
0.286
MAR-TRE-36bf7dba-45
0.286
MAR-TRE-36bf7dba-21
0.284
MAR-TRE-36bf7dba-38
0.284
MAR-TRE-36bf7dba-10
0.278
MAR-TRE-36bf7dba-73
0.278
MAR-TRE-36bf7dba-83
0.276
MAR-TRE-36bf7dba-25
0.276
MAR-TRE-36bf7dba-72
0.273
MAR-TRE-36bf7dba-15
0.269
MAR-TRE-36bf7dba-13
0.269
MAR-TRE-36bf7dba-18
0.264
MAR-TRE-36bf7dba-32
0.259
MAR-TRE-36bf7dba-77
0.258
MAR-TRE-36bf7dba-24
0.256
MAR-TRE-423310b6-20
0.250
MAR-TRE-36bf7dba-61
0.247
MAR-TRE-aca67d11-97
0.243
MAR-TRE-423310b6-7
0.243