Molecular Properties | |
SMILES: | O=c1[nH]c(=O)n(C2CC(O)C(COc3csc(CCl)n3)O2)cc1Cl |
MW: | 393.0 |
Fraction sp3: | 0.46 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.44 |
cLogP: | 1.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Filter82_pyridinium
Alkyl Halide
MAR-TRE-36bf7dba-13
0.747
MAR-TRE-36bf7dba-16
0.559
MAR-TRE-36bf7dba-61
0.505
MAR-TRE-36bf7dba-24
0.489
MAR-TRE-36bf7dba-18
0.464
MAR-TRE-36bf7dba-17
0.358
MAR-TRE-fffca54f-27
0.356
MAR-TRE-ebcc4ad6-22
0.356
MAR-TRE-fffca54f-52
0.348
MAR-TRE-ebcc4ad6-6
0.348
MAR-TRE-fffca54f-25
0.348
MAR-TRE-3724962b-7
0.337
MAR-TRE-fffca54f-60
0.330
MAR-TRE-ebcc4ad6-18
0.330
MAR-TRE-36bf7dba-85
0.320
MAR-TRE-36bf7dba-68
0.309
MAR-TRE-36bf7dba-80
0.304
MAR-TRE-36bf7dba-81
0.303
MAR-TRE-85681e92-5
0.297
MAR-TRE-36bf7dba-12
0.297
MAR-TRE-36bf7dba-25
0.292
MAR-TRE-36bf7dba-72
0.289
MAR-TRE-36bf7dba-20
0.286
MAR-TRE-36bf7dba-84
0.286
MAR-TRE-36bf7dba-7
0.284
MAR-TRE-36bf7dba-8
0.283
MAR-TRE-36bf7dba-33
0.283
MAR-TRE-36bf7dba-23
0.283
MAR-TRE-36bf7dba-49
0.281
MAR-TRE-36bf7dba-86
0.281
MAR-TRE-36bf7dba-10
0.280
MAR-TRE-36bf7dba-62
0.280
MAR-TRE-36bf7dba-83
0.278
MAR-TRE-36bf7dba-70
0.278
MAR-TRE-36bf7dba-96
0.276
MAR-TRE-36bf7dba-64
0.276
MAR-TRE-36bf7dba-63
0.275
MAR-TRE-36bf7dba-19
0.274
MAR-TRE-36bf7dba-60
0.274
MAR-TRE-36bf7dba-6
0.273
MAR-TRE-36bf7dba-38
0.272
MAR-TRE-fffca54f-51
0.272
MAR-TRE-36bf7dba-28
0.271
MAR-TRE-fffca54f-58
0.269
MAR-TRE-36bf7dba-59
0.268
MAR-TRE-36bf7dba-35
0.267
MAR-TRE-36bf7dba-39
0.267
MAR-TRE-36bf7dba-71
0.267
MAR-TRE-36bf7dba-2
0.267
MAR-TRE-36bf7dba-50
0.266
MAR-TRE-36bf7dba-32
0.265
MAR-TRE-36bf7dba-11
0.265
MAR-TRE-fffca54f-41
0.265
MAR-TRE-36bf7dba-36
0.263
MAR-TRE-36bf7dba-98
0.263
MAR-TRE-36bf7dba-43
0.261
MAR-TRE-36bf7dba-5
0.261
MAR-TRE-36bf7dba-48
0.261
MAR-TRE-36bf7dba-34
0.260
MAR-TRE-36bf7dba-100
0.260
MAR-TRE-36bf7dba-94
0.260
MAR-TRE-36bf7dba-29
0.260
MAR-TRE-36bf7dba-45
0.260
MAR-TRE-36bf7dba-3
0.258
MAR-TRE-36bf7dba-9
0.258
MAR-TRE-36bf7dba-69
0.258
MAR-TRE-36bf7dba-76
0.257
MAR-TRE-36bf7dba-47
0.257
MAR-TRE-36bf7dba-46
0.255
MAR-TRE-36bf7dba-53
0.253
MAR-TRE-36bf7dba-31
0.253
MAR-TRE-36bf7dba-89
0.253
MAR-TRE-36bf7dba-40
0.253
MAR-TRE-36bf7dba-58
0.252
MAR-TRE-36bf7dba-57
0.250
MAR-TRE-36bf7dba-51
0.250
MAR-TRE-36bf7dba-15
0.248
MAR-TRE-36bf7dba-41
0.247
MAR-TRE-36bf7dba-90
0.247
MAR-TRE-36bf7dba-91
0.247
MAR-TRE-36bf7dba-99
0.247
MAR-TRE-36bf7dba-73
0.246
MAR-TRE-36bf7dba-42
0.245
MAR-TRE-36bf7dba-22
0.245
MAR-TRE-36bf7dba-97
0.245
MAR-TRE-36bf7dba-79
0.245
MAR-TRE-36bf7dba-14
0.242
MAR-TRE-4f39ef4a-42
0.242
MAR-TRE-36bf7dba-78
0.240
MAR-TRE-36bf7dba-95
0.240
MAR-TRE-36bf7dba-37
0.240
MAR-TRE-36bf7dba-4
0.240
MAR-TRE-36bf7dba-52
0.238
MAR-TRE-36bf7dba-65
0.238
MAR-TRE-36bf7dba-93
0.238
MAR-TRE-36bf7dba-74
0.238
MAR-TRE-4f39ef4a-19
0.236
MAR-TRE-85681e92-50
0.236
MAR-TRE-36bf7dba-55
0.235
MAR-TRE-85681e92-31
0.235