Molecular Properties | |
SMILES: | Oc1ccc(CNc2cnc(CCl)[nH]2)cc1O |
MW: | 253.06 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 81.17 |
cLogP: | 2.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
catechol
Filter6_benzyl_halide
catechol_A(92)
Alkyl Halide
MAR-TRE-87acfbcc-98
0.544
MAR-TRE-87acfbcc-76
0.500
MAR-TRE-87acfbcc-33
0.475
MAR-TRE-87acfbcc-54
0.453
MAR-TRE-87acfbcc-81
0.437
MAR-TRE-87acfbcc-90
0.426
MAR-TRE-87acfbcc-34
0.412
MAR-TRE-87acfbcc-94
0.406
MAR-TRE-87acfbcc-83
0.400
MAR-TRE-87acfbcc-49
0.397
MAR-TRE-87acfbcc-86
0.393
MAR-TRE-87acfbcc-44
0.391
MAR-TRE-87acfbcc-73
0.391
MAR-TRE-87acfbcc-29
0.387
MAR-TRE-87acfbcc-55
0.375
MAR-TRE-87acfbcc-4
0.375
MAR-TRE-87acfbcc-62
0.369
MAR-TRE-87acfbcc-89
0.354
MAR-TRE-87acfbcc-45
0.354
MAR-TRE-87acfbcc-32
0.348
MAR-TRE-87acfbcc-58
0.348
MAR-TRE-87acfbcc-51
0.329
MAR-TRE-87acfbcc-61
0.324
MAR-TRE-87acfbcc-59
0.320
MAR-TRE-87acfbcc-79
0.317
MAR-TRE-87acfbcc-7
0.313
MAR-TRE-87acfbcc-48
0.313
MAR-TRE-87acfbcc-12
0.312
MAR-TRE-87acfbcc-47
0.309
MAR-TRE-87acfbcc-36
0.308
MAR-TRE-87acfbcc-41
0.308
MAR-TRE-87acfbcc-72
0.306
MAR-TRE-87acfbcc-38
0.303
MAR-TRE-87acfbcc-46
0.300
MAR-TRE-87acfbcc-50
0.300
MAR-TRE-87acfbcc-13
0.299
MAR-TRE-87acfbcc-91
0.299
MAR-TRE-87acfbcc-20
0.294
MAR-TRE-87acfbcc-15
0.294
MAR-TRE-fffca54f-79
0.293
MAR-TRE-87acfbcc-28
0.292
MAR-TRE-87acfbcc-14
0.292
MAR-TRE-87acfbcc-8
0.290
MAR-TRE-87acfbcc-11
0.290
MAR-TRE-87acfbcc-71
0.290
MAR-TRE-87acfbcc-35
0.284
MAR-TRE-85681e92-46
0.284
MAR-TRE-87acfbcc-70
0.284
MAR-TRE-87acfbcc-21
0.282
KEI-TRE-bda2794f-1
0.281
MAR-TRE-87acfbcc-95
0.280
MAR-TRE-87acfbcc-19
0.280
MAR-TRE-87acfbcc-16
0.278
MAR-TRE-8190bb11-97
0.276
MAR-TRE-87acfbcc-37
0.275
MAR-TRE-fffca54f-71
0.274
MAR-TRE-87acfbcc-2
0.274
MAR-TRE-87acfbcc-53
0.273
MAR-TRE-87acfbcc-67
0.270
MAR-TRE-87acfbcc-87
0.270
MAR-TRE-87acfbcc-22
0.270
MAR-TRE-87acfbcc-9
0.270
MAR-TRE-87acfbcc-100
0.268
MAR-TRE-87acfbcc-63
0.267
MAR-TRE-87acfbcc-10
0.267
MAR-TRE-d3c2bf0e-3
0.261
MAR-TRE-4f39ef4a-21
0.260
MAR-TRE-87acfbcc-25
0.260
MAR-TRE-87acfbcc-97
0.260
MAR-TRE-87acfbcc-99
0.256
MAR-TRE-87acfbcc-5
0.253
MAR-TRE-e86a56b5-35
0.247
MAR-TRE-87acfbcc-69
0.246
MAR-TRE-87acfbcc-26
0.246
MAR-TRE-87acfbcc-6
0.243
MAR-TRE-87acfbcc-85
0.243
MAR-TRE-87acfbcc-66
0.243
MAR-TRE-87acfbcc-92
0.243
MAR-TRE-87acfbcc-30
0.243
MAR-TRE-4f39ef4a-23
0.240
MAR-TRE-87acfbcc-56
0.236
MAR-TRE-87acfbcc-18
0.236
MAR-TRE-87acfbcc-1
0.236
MAR-TRE-87acfbcc-3
0.235
MAR-TRE-87acfbcc-65
0.235
MAR-TRE-87acfbcc-39
0.234
MAR-TRE-87acfbcc-68
0.233
MAR-TRE-4f39ef4a-22
0.232
MAR-TRE-87acfbcc-42
0.231
MAR-TRE-87acfbcc-96
0.231
MAR-TRE-87acfbcc-80
0.230
MAR-TRE-36bf7dba-88
0.229
MAR-TRE-87acfbcc-27
0.224
MAR-TRE-87acfbcc-82
0.224
MAR-TRE-87acfbcc-31
0.224
MAR-TRE-87acfbcc-24
0.221
MAR-TRE-87acfbcc-52
0.221
MAR-TRE-87acfbcc-74
0.215
MAR-TRE-87acfbcc-88
0.213
MAR-TRE-e86a56b5-20
0.212