Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl |
MW: | 464.95 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31790331 |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-2fd8122f-52
0.792
MAR-TRE-2fd8122f-70
0.692
MAR-TRE-2fd8122f-84
0.548
KEI-TRE-d5e2018a-28
0.447
MAR-TRE-f6f5f473-29
0.447
KEI-TRE-d5e2018a-10
0.443
MAR-TRE-2fd8122f-1
0.430
CHR-SOS-7098f804-15
0.425
MAR-TRE-2fd8122f-4
0.424
MAR-TRE-2fd8122f-40
0.404
CHR-SOS-7098f804-11
0.400
MAR-TRE-2fd8122f-5
0.394
CHR-SOS-7098f804-14
0.388
MAR-TRE-2fd8122f-11
0.388
KEI-TRE-d5e2018a-61
0.387
KEI-TRE-d5e2018a-70
0.383
KEI-TRE-d5e2018a-9
0.383
KEI-TRE-d5e2018a-13
0.383
MAR-TRE-2fd8122f-95
0.381
CHR-SOS-7098f804-13
0.379
KEI-TRE-d5e2018a-53
0.371
MAR-TRE-2fd8122f-25
0.369
MAR-TRE-d0525fbf-14
0.368
KEI-TRE-d5e2018a-79
0.368
MAR-TRE-2fd8122f-71
0.366
SAD-SAT-f25ee457-8
0.364
MAR-TRE-2fd8122f-34
0.363
MAR-TRE-2fd8122f-82
0.363
CHR-SOS-7098f804-12
0.362
MAR-TRE-2fd8122f-65
0.359
KEI-TRE-d5e2018a-90
0.358
MAR-TRE-d0525fbf-77
0.356
CHR-SOS-7098f804-19
0.354
CHR-SOS-7098f804-17
0.354
MAR-TRE-2fd8122f-86
0.352
MAR-TRE-2fd8122f-58
0.352
CHR-SOS-7098f804-16
0.352
MAR-TRE-04c86cea-65
0.351
MAR-TRE-2fd8122f-55
0.350
JAN-GHE-4287bd1a-9
0.349
MAR-TRE-2fd8122f-24
0.347
MAK-UNK-d1e89583-4
0.346
WAR-XCH-eb7b662f-3
0.342
CHA-MCP-85291e1d-5
0.341
KEI-TRE-d5e2018a-32
0.341
MAR-TRE-3e4e6814-34
0.341
MAR-TRE-04c86cea-53
0.340
ANT-DIA-3c79be55-4
0.337
KEI-TRE-d5e2018a-89
0.337
KEI-TRE-d5e2018a-52
0.337
KEI-TRE-d5e2018a-86
0.337
KEI-TRE-d5e2018a-56
0.337
JOR-UNI-2fc98d0b-7
0.333
JAN-GHE-83b26c96-19
0.333
DAR-DIA-23aa0b97-14
0.333
WAR-XCH-eb7b662f-7
0.333
MAR-TRE-2fd8122f-76
0.333
MAR-TRE-67513f76-51
0.333
ADA-UNI-f8e79267-8
0.330
CHR-SOS-70e4c98a-9
0.330
MAR-TRE-7f7bb9f0-74
0.329
MAK-UNK-ca11b4f7-3
0.329
KEI-TRE-d5e2018a-78
0.327
KEI-TRE-d5e2018a-71
0.327
KEI-TRE-d5e2018a-22
0.326
MAR-TRE-f6f5f473-75
0.326
KEI-TRE-d5e2018a-47
0.326
DAR-DIA-23aa0b97-16
0.325
MAK-UNK-ca11b4f7-1
0.324
CHR-SOS-70e4c98a-4
0.323
MAR-TRE-2fd8122f-15
0.323
MAR-TRE-04c86cea-17
0.323
MAR-TRE-f6f5f473-79
0.323
KEI-TRE-d5e2018a-54
0.323
CHR-SOS-70e4c98a-7
0.323
MAR-TRE-2fd8122f-78
0.322
AGN-NEW-891393a6-2
0.322
EDG-MED-0da5ad92-2
0.321
DAR-DIA-23aa0b97-15
0.321
MAK-UNK-a7b37c5e-4
0.321
KEI-TRE-d5e2018a-59
0.320
KEI-TRE-d5e2018a-44
0.319
WAR-XCH-eb7b662f-5
0.318
KEI-TRE-d5e2018a-50
0.317
DAR-DIA-842b4336-4
0.317
WAR-XCH-eb7b662f-6
0.317
MAR-TRE-d0525fbf-55
0.317
CHR-SOS-7098f804-22
0.317
CHR-SOS-70e4c98a-12
0.317
ALE-HEI-f28a35b5-14
0.316
MAR-TRE-3e4e6814-92
0.316
SAD-SAT-135344c3-2
0.316
MAR-TRE-2fd8122f-98
0.315
CHR-SOS-7098f804-18
0.315
MAR-TRE-67513f76-81
0.315
CHA-MCP-85291e1d-2
0.315
AGN-NEW-891393a6-1
0.315
MAK-UNK-d1e89583-7
0.313
KEI-TRE-d5e2018a-84
0.313
ADA-UNI-f8e79267-9
0.313