Molecular Properties | |
SMILES: | CNCC(Oc1csc(CCl)n1)c1ccc(O)c(O)c1 |
MW: | 314.05 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 74.61 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
catechol_A(92)
Alkyl Halide
MAR-TRE-36bf7dba-65
0.781
MAR-TRE-36bf7dba-92
0.721
MAR-TRE-36bf7dba-93
0.557
MAR-TRE-36bf7dba-78
0.527
MAR-TRE-36bf7dba-57
0.453
MAR-TRE-36bf7dba-59
0.446
MAR-TRE-36bf7dba-69
0.384
MAR-TRE-36bf7dba-79
0.384
MAR-TRE-36bf7dba-48
0.370
MAR-TRE-36bf7dba-37
0.367
MAR-TRE-36bf7dba-30
0.359
MAR-TRE-36bf7dba-62
0.355
MAR-TRE-36bf7dba-89
0.355
MAR-TRE-36bf7dba-90
0.351
MAR-TRE-36bf7dba-35
0.349
MAR-TRE-36bf7dba-97
0.347
MAR-TRE-36bf7dba-34
0.346
MAR-TRE-36bf7dba-56
0.346
MAR-TRE-36bf7dba-58
0.345
MAR-TRE-36bf7dba-55
0.341
MAR-TRE-36bf7dba-84
0.341
MAR-TRE-36bf7dba-52
0.341
MAR-TRE-36bf7dba-76
0.337
MAR-TRE-36bf7dba-36
0.333
MAR-TRE-36bf7dba-71
0.333
MAR-TRE-36bf7dba-43
0.333
MAR-TRE-36bf7dba-91
0.333
MAR-TRE-36bf7dba-67
0.329
MAR-TRE-36bf7dba-22
0.325
MAR-TRE-36bf7dba-23
0.325
MAR-TRE-36bf7dba-31
0.321
MAR-TRE-36bf7dba-53
0.321
MAR-TRE-36bf7dba-44
0.318
MAR-TRE-36bf7dba-51
0.316
MAR-TRE-36bf7dba-99
0.316
MAR-TRE-36bf7dba-74
0.313
MAR-TRE-36bf7dba-41
0.312
MAR-TRE-36bf7dba-1
0.312
MAR-TRE-36bf7dba-9
0.312
MAR-TRE-36bf7dba-14
0.305
MAR-TRE-36bf7dba-4
0.304
MAR-TRE-36bf7dba-54
0.302
MAR-TRE-36bf7dba-40
0.301
MAR-TRE-36bf7dba-46
0.300
MAR-TRE-36bf7dba-98
0.298
MAR-TRE-36bf7dba-75
0.297
MAR-TRE-36bf7dba-87
0.296
MAR-TRE-36bf7dba-15
0.294
MAR-TRE-36bf7dba-27
0.294
MAR-TRE-36bf7dba-28
0.293
MAR-TRE-36bf7dba-12
0.291
MAR-TRE-36bf7dba-68
0.291
MAR-TRE-36bf7dba-47
0.291
MAR-TRE-36bf7dba-26
0.290
MAR-TRE-36bf7dba-2
0.289
MAR-TRE-36bf7dba-86
0.289
MAR-TRE-36bf7dba-95
0.286
MAR-TRE-36bf7dba-66
0.286
MAR-TRE-36bf7dba-83
0.286
MAR-TRE-36bf7dba-11
0.284
MAR-TRE-36bf7dba-64
0.282
MAR-TRE-36bf7dba-81
0.282
MAR-TRE-36bf7dba-60
0.280
MAR-TRE-36bf7dba-6
0.280
MAR-TRE-36bf7dba-94
0.279
MAR-TRE-36bf7dba-21
0.279
MAR-TRE-36bf7dba-3
0.278
MAR-TRE-36bf7dba-20
0.278
MAR-TRE-36bf7dba-7
0.276
MAR-TRE-36bf7dba-8
0.275
MAR-TRE-36bf7dba-42
0.275
MAR-TRE-36bf7dba-39
0.273
MAR-TRE-36bf7dba-49
0.273
MAR-TRE-36bf7dba-50
0.272
MAR-TRE-87acfbcc-83
0.271
MAR-TRE-36bf7dba-70
0.269
MAR-TRE-36bf7dba-80
0.268
MAR-TRE-fffca54f-61
0.268
MAR-TRE-e86a56b5-20
0.268
MAR-TRE-36bf7dba-96
0.267
MAR-TRE-36bf7dba-63
0.267
MAR-TRE-36bf7dba-82
0.266
MAR-TRE-36bf7dba-5
0.266
MAR-TRE-36bf7dba-19
0.265
MAR-TRE-36bf7dba-29
0.264
MAR-TRE-36bf7dba-38
0.264
MAR-TRE-36bf7dba-33
0.259
MAR-TRE-36bf7dba-85
0.258
MAR-TRE-36bf7dba-25
0.256
MAR-TRE-87acfbcc-29
0.253
MAR-TRE-36bf7dba-100
0.250
MAR-TRE-4f39ef4a-20
0.247
MAR-TRE-36bf7dba-10
0.244
MAR-TRE-4f39ef4a-63
0.239
MAR-TRE-36bf7dba-72
0.239
MAR-TRE-85681e92-34
0.238
MAR-TRE-d3c2bf0e-7
0.237
MAR-TRE-36bf7dba-45
0.236
MAR-TRE-4f39ef4a-14
0.235
MAR-TRE-36bf7dba-73
0.235