Molecular Properties | |
SMILES: | COc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1Cl |
MW: | 494.97 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 97.39 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
KEI-TRE-d5e2018a-70
0.659
KEI-TRE-d5e2018a-86
0.484
MAR-TRE-2fd8122f-82
0.406
MAR-TRE-2fd8122f-85
0.404
MAR-TRE-2fd8122f-65
0.402
MAR-TRE-2fd8122f-11
0.400
CHR-SOS-7098f804-12
0.395
MAR-TRE-2fd8122f-25
0.382
MAR-TRE-f6f5f473-29
0.381
KEI-TRE-d5e2018a-28
0.381
KEI-TRE-d5e2018a-53
0.371
MAR-TRE-4b834d9a-43
0.366
KEI-TRE-d5e2018a-58
0.366
MAR-TRE-2fd8122f-24
0.363
CHR-SOS-7098f804-18
0.361
KEI-TRE-d5e2018a-22
0.356
MAR-TRE-f6f5f473-75
0.356
CHR-SOS-7098f804-19
0.356
KEI-TRE-d5e2018a-54
0.353
MAR-TRE-04c86cea-65
0.352
KEI-TRE-d5e2018a-56
0.352
MAR-TRE-2fd8122f-55
0.352
CHR-SOS-7098f804-22
0.346
KEI-TRE-d5e2018a-32
0.343
MAR-TRE-3e4e6814-34
0.343
MAR-TRE-2fd8122f-58
0.340
MAR-TRE-2fd8122f-31
0.340
MAR-TRE-2fd8122f-34
0.337
KEI-TRE-d5e2018a-91
0.337
MAR-TRE-2fd8122f-70
0.336
MAR-TRE-2fd8122f-35
0.336
KEI-TRE-d5e2018a-59
0.336
MAR-TRE-2fd8122f-52
0.333
MAR-TRE-2fd8122f-71
0.330
MAR-TRE-3e4e6814-45
0.330
KEI-TRE-d5e2018a-90
0.330
MAR-TRE-f6f5f473-79
0.327
KEI-TRE-d5e2018a-10
0.327
MAR-TRE-2fd8122f-22
0.327
CHR-SOS-7098f804-16
0.327
MAR-TRE-4b834d9a-79
0.324
MAR-TRE-8190bb11-78
0.323
CHR-SOS-7098f804-11
0.323
KEI-TRE-d5e2018a-50
0.321
MAR-TRE-92684b97-25
0.320
CHR-SOS-7098f804-17
0.318
KEI-TRE-d5e2018a-82
0.318
KEI-TRE-d5e2018a-36
0.317
KEI-TRE-d5e2018a-80
0.317
MAR-TRE-b77b7921-70
0.314
KEI-TRE-d5e2018a-100
0.311
KEI-TRE-d5e2018a-33
0.310
KEI-TRE-d5e2018a-98
0.309
MAR-TRE-3e4e6814-92
0.308
KEI-TRE-d5e2018a-39
0.307
KEI-TRE-d5e2018a-78
0.307
KEI-TRE-d5e2018a-87
0.306
AGN-NEW-891393a6-1
0.306
MAR-TRE-3e4e6814-50
0.306
KEI-TRE-d5e2018a-13
0.306
KEI-TRE-d5e2018a-71
0.306
KEI-TRE-d5e2018a-79
0.306
MAR-TRE-2fd8122f-84
0.306
MAR-TRE-d0525fbf-14
0.306
MAR-TRE-67513f76-81
0.305
MAR-TRE-04c86cea-90
0.305
MAK-UNK-10dfa458-24
0.305
KEI-TRE-d5e2018a-93
0.304
CHR-SOS-7098f804-14
0.303
MAR-TRE-7f7bb9f0-6
0.302
MAK-UNK-a7b37c5e-1
0.301
KEI-TRE-d5e2018a-2
0.300
KEI-TRE-d5e2018a-83
0.300
KEI-TRE-d5e2018a-49
0.300
IAN-BAS-df1706d7-1
0.300
MAR-TRE-67513f76-51
0.299
AGN-NEW-891393a6-2
0.299
ANT-DIA-3c79be55-4
0.299
WIL-UNI-5578df48-22
0.299
MAK-UNK-129dcd6f-9
0.298
CHR-SOS-7098f804-15
0.298
BAR-COM-5694a99d-2
0.298
ALE-MCD-4ac17b19-1
0.298
MAR-TRE-2fd8122f-1
0.297
MAR-TRE-d0525fbf-55
0.297
KEI-TRE-d5e2018a-44
0.297
SAD-SAT-689b7d5a-8
0.297
CHR-SOS-7098f804-13
0.297
KEI-TRE-d5e2018a-61
0.296
WAR-XCH-eb7b662f-5
0.295
SAD-SAT-2fd372d1-7
0.295
MAR-TRE-2fd8122f-95
0.295
KEI-TRE-d5e2018a-72
0.294
MAR-TRE-2fd8122f-41
0.293
KEI-TRE-d5e2018a-47
0.292
MAR-TRE-2fd8122f-42
0.292
MAR-TRE-3e4e6814-6
0.292
KEI-TRE-d5e2018a-75
0.292
MAR-TRE-2fd8122f-5
0.291
MAR-TRE-2fd8122f-4
0.291