Molecular Properties | |
SMILES: | O=C(Cc1ccc2c(c1)OCO2)Oc1csc(CCl)n1 |
MW: | 311.0 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.65 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-84
0.562
MAR-TRE-36bf7dba-74
0.548
MAR-TRE-36bf7dba-44
0.547
MAR-TRE-36bf7dba-52
0.532
MAR-TRE-36bf7dba-54
0.526
MAR-TRE-36bf7dba-43
0.425
AAR-POS-d2a4d1df-31
0.419
MAR-TRE-36bf7dba-9
0.419
MAR-TRE-36bf7dba-89
0.408
MAR-TRE-36bf7dba-99
0.405
MAR-TRE-36bf7dba-91
0.405
MAR-TRE-36bf7dba-75
0.402
MAR-TRE-36bf7dba-97
0.400
MAR-TRE-36bf7dba-40
0.400
MAR-TRE-36bf7dba-41
0.397
MAR-TRE-36bf7dba-64
0.395
MAR-TRE-36bf7dba-28
0.392
MAR-TRE-36bf7dba-53
0.390
MAR-TRE-36bf7dba-31
0.390
MAR-TRE-36bf7dba-76
0.386
MAR-TRE-36bf7dba-51
0.385
MAR-TRE-36bf7dba-87
0.380
MAR-TRE-36bf7dba-23
0.377
MAR-TRE-36bf7dba-22
0.375
MAR-TRE-36bf7dba-63
0.372
MAR-TRE-e86a56b5-54
0.367
MAR-TRE-36bf7dba-82
0.367
MAR-TRE-36bf7dba-95
0.366
JOH-UNI-e19b918c-9
0.360
MAR-TRE-36bf7dba-66
0.360
MAK-UNK-7c9d1431-14
0.358
MAR-TRE-36bf7dba-90
0.351
JOH-IMS-0f19a540-10
0.347
JOH-UNI-e19b918c-8
0.346
MAR-TRE-f5c2d31c-59
0.344
JOH-UNI-e19b918c-4
0.342
SAD-SAT-2ceae68f-8
0.341
MAR-TRE-36bf7dba-30
0.341
MAR-TRE-8a25d817-17
0.341
MAR-TRE-36bf7dba-73
0.340
MAR-TRE-d0525fbf-52
0.340
MAR-TRE-36bf7dba-4
0.338
MAR-TRE-aca67d11-9
0.337
MAR-TRE-36bf7dba-36
0.333
MAR-TRE-36bf7dba-37
0.333
MAR-TRE-36bf7dba-56
0.329
MAR-TRE-36bf7dba-1
0.329
MAR-TRE-36bf7dba-67
0.329
MAR-TRE-a3327163-47
0.326
MAR-TRE-e86a56b5-44
0.323
MAR-TRE-36bf7dba-68
0.322
MAR-TRE-36bf7dba-14
0.321
MAR-TRE-36bf7dba-48
0.316
JOH-IMS-0f19a540-3
0.315
JOH-IMS-7e73aedd-9
0.315
MAR-TRE-fd17a9b8-77
0.315
MAR-TRE-36bf7dba-78
0.315
MAR-TRE-fd17a9b8-13
0.314
MAR-TRE-fd17a9b8-38
0.314
JOH-IMS-7e73aedd-1
0.314
MAR-TRE-36bf7dba-69
0.312
MAR-TRE-d3c2bf0e-27
0.312
MAR-TRE-d0525fbf-80
0.311
MAR-TRE-d0525fbf-39
0.311
DAV-UNK-07f953a2-3
0.308
MAR-TRE-36bf7dba-47
0.307
MAR-TRE-36bf7dba-21
0.305
MAR-TRE-8190bb11-17
0.304
MAR-TRE-14ce9fd6-23
0.303
MAR-TRE-36bf7dba-93
0.299
MAR-TRE-fd17a9b8-7
0.298
MAR-TRE-e86a56b5-96
0.298
MAR-TRE-36bf7dba-27
0.295
MAR-TRE-e86a56b5-72
0.294
MAR-TRE-e86a56b5-78
0.292
MAR-TRE-e86a56b5-95
0.292
MAR-TRE-36bf7dba-26
0.291
MAR-TRE-e86a56b5-4
0.290
BRU-UNI-248b30bc-44
0.289
MAR-TRE-36bf7dba-35
0.289
MAR-TRE-36bf7dba-71
0.289
LON-WEI-4d77710c-10
0.288
LON-WEI-5e7d1b3e-10
0.288
MAR-LAB-ff9967db-28
0.288
MAR-TRE-fd17a9b8-44
0.287
MAR-TRE-d0525fbf-19
0.284
MAR-TRE-36bf7dba-98
0.284
MAR-TRE-36bf7dba-81
0.284
JOH-UNI-e19b918c-11
0.283
MAR-TRE-36bf7dba-19
0.282
MAR-TRE-36bf7dba-34
0.282
MAR-TRE-36bf7dba-20
0.280
MAR-TRE-e86a56b5-80
0.280
MAR-TRE-d0525fbf-40
0.278
MAR-TRE-b77b7921-56
0.278
MAR-TRE-36bf7dba-12
0.277
JOH-UNI-e19b918c-3
0.277
MAR-TRE-d0525fbf-13
0.275
MAR-TRE-36bf7dba-49
0.275
MAR-TRE-36bf7dba-88
0.275