Molecular Properties | |
SMILES: | O=C(CCc1ccco1)NCC(=O)Oc1csc(CCl)n1 |
MW: | 328.03 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 81.43 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-97
0.459
MAR-TRE-36bf7dba-31
0.447
MAR-TRE-36bf7dba-43
0.427
MAR-TRE-36bf7dba-53
0.410
MAR-TRE-36bf7dba-66
0.409
MAR-TRE-36bf7dba-91
0.408
MAR-TRE-36bf7dba-99
0.408
MAR-TRE-36bf7dba-51
0.405
MAR-TRE-36bf7dba-95
0.402
MAR-TRE-36bf7dba-41
0.400
MAR-TRE-36bf7dba-89
0.392
MAR-TRE-36bf7dba-76
0.388
MAR-TRE-36bf7dba-9
0.385
MAR-TRE-36bf7dba-87
0.383
MAR-TRE-36bf7dba-74
0.381
MAR-TRE-36bf7dba-28
0.378
MAR-TRE-36bf7dba-40
0.369
MAR-TRE-36bf7dba-54
0.368
MAR-TRE-36bf7dba-42
0.367
MAR-TRE-36bf7dba-23
0.362
MAR-TRE-36bf7dba-22
0.361
MAR-TRE-36bf7dba-30
0.361
MAR-TRE-aca67d11-33
0.361
MAR-TRE-36bf7dba-84
0.360
MAR-TRE-36bf7dba-4
0.358
MAR-TRE-36bf7dba-90
0.354
MAR-TRE-36bf7dba-44
0.352
MAR-TRE-36bf7dba-67
0.349
MAR-TRE-36bf7dba-64
0.349
MAR-TRE-36bf7dba-52
0.344
MAR-TRE-36bf7dba-63
0.344
MAR-TRE-36bf7dba-36
0.337
MAR-TRE-87acfbcc-1
0.337
MAR-TRE-36bf7dba-56
0.333
MAR-TRE-36bf7dba-75
0.330
MAR-TRE-36bf7dba-37
0.322
MAR-TRE-36bf7dba-1
0.318
MAR-TRE-36bf7dba-69
0.317
MAR-TRE-36bf7dba-73
0.317
MAR-TRE-36bf7dba-14
0.310
MAR-TRE-36bf7dba-26
0.308
MAR-TRE-36bf7dba-11
0.304
MAR-TRE-87acfbcc-3
0.298
MAR-TRE-36bf7dba-47
0.297
MAR-TRE-36bf7dba-68
0.297
MAR-TRE-36bf7dba-39
0.293
MAR-TRE-36bf7dba-35
0.293
MAR-TRE-36bf7dba-78
0.290
MAR-TRE-36bf7dba-48
0.289
MAR-TRE-36bf7dba-60
0.287
MAR-TRE-36bf7dba-19
0.287
MAR-TRE-36bf7dba-27
0.287
MAR-TRE-67513f76-18
0.286
MAR-TRE-36bf7dba-21
0.284
MAR-TRE-36bf7dba-12
0.282
MAR-TRE-9c797165-10
0.280
MAR-TRE-36bf7dba-93
0.275
MAR-TRE-36bf7dba-81
0.274
MAR-TRE-36bf7dba-34
0.273
MAR-TRE-36bf7dba-55
0.272
MAR-TRE-36bf7dba-94
0.272
MAR-TRE-36bf7dba-20
0.271
MAR-TRE-36bf7dba-79
0.271
MAR-TRE-36bf7dba-7
0.268
MAR-TRE-36bf7dba-59
0.267
MAR-TRE-36bf7dba-85
0.266
MAR-TRE-36bf7dba-71
0.266
MAR-TRE-36bf7dba-88
0.266
MAR-TRE-36bf7dba-46
0.265
MAR-TRE-36bf7dba-86
0.265
MAR-TRE-36bf7dba-25
0.264
MAR-TRE-36bf7dba-58
0.263
MAR-TRE-36bf7dba-80
0.261
MAR-TRE-36bf7dba-57
0.261
MAR-TRE-36bf7dba-96
0.261
MAR-TRE-36bf7dba-65
0.260
MAR-TRE-36bf7dba-29
0.258
MAR-TRE-67513f76-87
0.258
MAR-TRE-be9ff7d2-1
0.253
MAR-TRE-36bf7dba-49
0.250
MAR-TRE-36bf7dba-50
0.250
MAR-TRE-36bf7dba-62
0.250
MAR-TRE-6a44bbf2-96
0.250
MAR-TRE-7f7bb9f0-17
0.250
MAR-TRE-36bf7dba-98
0.247
MAR-TRE-36bf7dba-70
0.247
MIC-UNK-cdc2493e-16
0.245
MAR-TRE-36bf7dba-45
0.245
MAR-TRE-36bf7dba-15
0.245
MAR-TRE-36bf7dba-6
0.241
MAR-TRE-36bf7dba-92
0.240
MAR-TRE-8190bb11-40
0.240
MAR-TRE-36bf7dba-8
0.239
MAR-TRE-36bf7dba-33
0.239
MAR-TRE-36bf7dba-17
0.239
MAR-TRE-36bf7dba-2
0.235
MAR-TRE-36bf7dba-72
0.234
MAR-TRE-6c5ef77a-2
0.233
LON-WEI-4d77710c-39
0.233
LON-WEI-5e7d1b3e-39
0.233