Molecular Properties | |
SMILES: | CC(Nc1cnc(CCl)[nH]1)C(O)c1ccc(O)c(O)c1 |
MW: | 297.09 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 5 |
TPSA: | 101.4 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
catechol_A(92)
Alkyl Halide
MAR-TRE-87acfbcc-72
0.639
MAR-TRE-87acfbcc-29
0.447
MAR-TRE-87acfbcc-36
0.422
MAR-TRE-87acfbcc-38
0.415
MAR-TRE-87acfbcc-79
0.413
MAR-TRE-87acfbcc-93
0.400
MAR-TRE-d3c2bf0e-6
0.391
MAR-TRE-87acfbcc-12
0.385
MAR-TRE-87acfbcc-35
0.384
MAR-TRE-87acfbcc-7
0.382
MAR-TRE-87acfbcc-41
0.379
MAR-TRE-87acfbcc-47
0.377
MAR-TRE-87acfbcc-11
0.377
MAR-TRE-87acfbcc-13
0.368
MAR-TRE-87acfbcc-50
0.366
MAR-TRE-87acfbcc-15
0.362
MAR-TRE-87acfbcc-20
0.362
MAR-TRE-87acfbcc-16
0.361
MAR-TRE-87acfbcc-95
0.360
MAR-TRE-87acfbcc-8
0.357
MAR-TRE-87acfbcc-71
0.357
MAR-TRE-87acfbcc-54
0.356
MAR-TRE-87acfbcc-70
0.353
MAR-TRE-85681e92-34
0.351
MAR-TRE-87acfbcc-9
0.351
MAR-TRE-87acfbcc-91
0.348
MAR-TRE-87acfbcc-46
0.347
MAR-TRE-87acfbcc-21
0.347
MAR-TRE-4f39ef4a-14
0.347
MAR-TRE-87acfbcc-59
0.346
MAR-TRE-fffca54f-61
0.344
MAR-TRE-e86a56b5-20
0.344
MAR-TRE-87acfbcc-28
0.338
MAR-TRE-87acfbcc-25
0.338
MAR-TRE-87acfbcc-97
0.338
MAR-TRE-87acfbcc-22
0.333
MAR-TRE-87acfbcc-67
0.333
MAR-TRE-87acfbcc-87
0.333
MAR-TRE-87acfbcc-19
0.325
MAR-TRE-87acfbcc-51
0.321
MAR-TRE-87acfbcc-2
0.320
MAR-TRE-87acfbcc-86
0.319
MAR-TRE-87acfbcc-81
0.317
MAR-TRE-87acfbcc-99
0.316
MAR-TRE-87acfbcc-33
0.315
MAR-TRE-87acfbcc-5
0.312
MAR-TRE-4f39ef4a-63
0.312
MAR-TRE-87acfbcc-63
0.312
MAR-TRE-87acfbcc-53
0.300
MAR-TRE-87acfbcc-90
0.297
MAR-TRE-85681e92-56
0.296
MAR-TRE-87acfbcc-48
0.288
MAR-TRE-87acfbcc-49
0.288
MAR-TRE-87acfbcc-55
0.288
MAR-TRE-36bf7dba-93
0.280
MAR-TRE-36bf7dba-65
0.279
MAR-TRE-87acfbcc-34
0.275
MAR-TRE-87acfbcc-94
0.272
MAR-TRE-36bf7dba-88
0.271
MAR-TRE-87acfbcc-4
0.270
MAR-TRE-87acfbcc-37
0.270
MAR-TRE-87acfbcc-98
0.270
MAR-TRE-87acfbcc-32
0.269
MAR-TRE-87acfbcc-14
0.269
MAR-TRE-87acfbcc-62
0.267
MAR-TRE-87acfbcc-76
0.263
MAR-TRE-87acfbcc-44
0.259
MAR-TRE-87acfbcc-45
0.253
MAR-TRE-87acfbcc-89
0.253
MAR-TRE-87acfbcc-58
0.253
MAR-TRE-36bf7dba-78
0.253
MAR-TRE-d3c2bf0e-7
0.250
MAR-TRE-87acfbcc-1
0.247
MAR-TRE-87acfbcc-10
0.247
MAR-TRE-87acfbcc-100
0.247
MAR-TRE-fffca54f-79
0.246
MAR-TRE-87acfbcc-73
0.244
MAR-TRE-4f39ef4a-20
0.244
MAR-TRE-4f39ef4a-18
0.241
MAR-TRE-8190bb11-97
0.241
MAR-TRE-87acfbcc-92
0.240
MAR-TRE-87acfbcc-61
0.238
MAR-TRE-a9136c7b-62
0.236
MAR-TRE-87acfbcc-3
0.233
MAR-TRE-87acfbcc-65
0.233
MAR-TRE-87acfbcc-60
0.232
MAR-TRE-85681e92-46
0.232
MAR-TRE-87acfbcc-68
0.231
MAR-TRE-423310b6-74
0.231
MAR-TRE-87acfbcc-80
0.228
MAR-TRE-87acfbcc-23
0.227
MAR-TRE-87acfbcc-69
0.227
MAR-TRE-87acfbcc-26
0.225
MAR-TRE-87acfbcc-85
0.225
MAR-TRE-87acfbcc-6
0.225
DAV-CRI-3edb475e-1
0.224
MAR-TRE-87acfbcc-77
0.221
MAR-TRE-e82e6c98-46
0.220
MAR-TRE-87acfbcc-24
0.220
MAR-TRE-87acfbcc-52
0.220