Molecular Properties | |
SMILES: | O=C(c1ccc2c(c1)OCO2)c1nc(O)sc1CCl |
MW: | 296.99 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.65 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-8a25d817-17
0.580
MAR-TRE-aca67d11-12
0.538
MAR-TRE-aca67d11-34
0.522
MAR-TRE-aca67d11-4
0.493
MAR-TRE-aca67d11-8
0.486
MAR-TRE-aca67d11-29
0.479
MAR-TRE-aca67d11-83
0.471
MAR-TRE-aca67d11-56
0.471
MAR-TRE-aca67d11-81
0.464
MAR-TRE-aca67d11-85
0.457
MAR-TRE-aca67d11-89
0.457
MAR-TRE-aca67d11-2
0.452
MAR-TRE-aca67d11-69
0.449
MAR-TRE-aca67d11-22
0.438
MAR-TRE-aca67d11-31
0.431
MAR-TRE-aca67d11-39
0.431
MAR-TRE-aca67d11-86
0.431
MAR-TRE-aca67d11-28
0.423
MAR-TRE-aca67d11-23
0.417
MAR-TRE-aca67d11-67
0.411
MAR-TRE-aca67d11-73
0.400
MAR-TRE-aca67d11-82
0.392
MAR-TRE-aca67d11-70
0.384
MAR-TRE-aca67d11-48
0.373
MAR-TRE-aca67d11-18
0.372
MAR-TRE-aca67d11-93
0.370
MAR-TRE-aca67d11-1
0.368
MAR-TRE-aca67d11-5
0.367
MAR-TRE-aca67d11-42
0.365
MAR-TRE-aca67d11-3
0.359
CHR-UNL-7577488f-1
0.358
MAR-TRE-aca67d11-49
0.354
AAR-POS-d2a4d1df-31
0.351
AAR-POS-0daf6b7e-43
0.351
MAR-TRE-aca67d11-46
0.343
MAR-TRE-aca67d11-37
0.343
MAR-TRE-aca67d11-74
0.342
JOH-IMS-0f19a540-7
0.338
MAR-TRE-36bf7dba-42
0.337
MAR-TRE-aca67d11-72
0.333
MAR-TRE-aca67d11-40
0.333
MAR-TRE-aca67d11-100
0.333
MAR-TRE-a3327163-38
0.330
MAR-TRE-aca67d11-76
0.329
MAR-TRE-aca67d11-7
0.329
MAR-TRE-aca67d11-27
0.329
JOH-IMS-0f19a540-13
0.325
MAR-TRE-aca67d11-14
0.325
MAR-TRE-aca67d11-10
0.325
MAR-TRE-aca67d11-13
0.324
MAR-TRE-aca67d11-53
0.324
MAR-TRE-aca67d11-78
0.324
MAR-TRE-aca67d11-6
0.321
MAR-TRE-aca67d11-91
0.321
MAR-TRE-aca67d11-71
0.319
MAR-TRE-aca67d11-38
0.319
MAR-TRE-aca67d11-65
0.319
MAR-TRE-f5c2d31c-59
0.319
JOH-IMS-0f19a540-12
0.317
MAR-TRE-aca67d11-59
0.315
MAR-TRE-aca67d11-20
0.315
MAR-TRE-aca67d11-60
0.314
MAK-UNK-7c9d1431-14
0.312
MAR-TRE-aca67d11-33
0.312
MAR-TRE-aca67d11-30
0.312
JOH-UNI-e19b918c-4
0.312
MAR-TRE-aca67d11-75
0.310
MAR-TRE-aca67d11-77
0.310
MAR-TRE-aca67d11-66
0.309
MAR-TRE-aca67d11-63
0.307
MAR-TRE-aca67d11-21
0.307
MAR-TRE-e86a56b5-54
0.304
MAR-TRE-aca67d11-95
0.303
MAR-TRE-aca67d11-84
0.302
MAR-TRE-aca67d11-90
0.301
JOH-IMS-7e73aedd-9
0.300
JOH-IMS-0f19a540-3
0.300
MAR-TRE-aca67d11-41
0.299
MAR-TRE-aca67d11-54
0.299
JOH-UNI-e19b918c-8
0.299
MAR-TRE-aca67d11-58
0.297
MAR-TRE-aca67d11-68
0.297
MAR-TRE-aca67d11-64
0.293
MAR-TRE-aca67d11-43
0.293
MAR-TRE-8190bb11-17
0.292
MAR-TRE-aca67d11-19
0.292
JOH-UNI-e19b918c-6
0.292
MAR-TRE-aca67d11-80
0.291
MAR-TRE-aca67d11-97
0.291
MAR-TRE-aca67d11-26
0.291
MAR-TRE-aca67d11-11
0.291
LON-WEI-5e7d1b3e-10
0.290
LON-WEI-4d77710c-10
0.290
MAR-TRE-aca67d11-16
0.289
MAR-TRE-aca67d11-96
0.289
MAR-TRE-fd17a9b8-77
0.287
ROD-LAS-d5538ff9-6
0.287
MAR-TRE-fd17a9b8-13
0.286
MAR-TRE-aca67d11-55
0.286
MAR-TRE-aca67d11-94
0.286