Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1Br |
MW: | 489.04 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3426308938 |
MolPort: | MolPort-001-983-926 |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-18
0.793
MAR-TRE-74c6519b-56
0.659
KEI-TRE-d5e2018a-88
0.659
KEI-TRE-d5e2018a-33
0.652
KEI-TRE-d5e2018a-75
0.648
KEI-TRE-d5e2018a-50
0.633
KEI-TRE-d5e2018a-84
0.573
MAR-TRE-d0525fbf-92
0.560
KEI-TRE-d5e2018a-95
0.560
KEI-TRE-d5e2018a-87
0.548
KEI-TRE-d5e2018a-59
0.537
KEI-TRE-d5e2018a-39
0.526
KEI-TRE-d5e2018a-54
0.505
MAR-TRE-4b834d9a-79
0.505
KEI-TRE-d5e2018a-1
0.495
KEI-TRE-d5e2018a-93
0.495
KEI-TRE-d5e2018a-2
0.495
KEI-TRE-d5e2018a-64
0.490
KEI-TRE-d5e2018a-31
0.486
MAR-TRE-7f7bb9f0-6
0.457
KEI-TRE-d5e2018a-46
0.441
KEI-TRE-d5e2018a-4
0.427
KEI-TRE-d5e2018a-65
0.418
KEI-TRE-d5e2018a-89
0.415
MAR-TRE-2fd8122f-98
0.409
MAR-TRE-4b834d9a-16
0.406
KEI-TRE-d5e2018a-7
0.406
MAR-TRE-3e4e6814-50
0.396
KEI-TRE-d5e2018a-92
0.392
KEI-TRE-d5e2018a-100
0.366
MAR-TRE-7f7bb9f0-90
0.366
MAR-TRE-2fd8122f-2
0.361
KEI-TRE-d5e2018a-80
0.360
MAR-TRE-67513f76-81
0.359
MAR-TRE-2fd8122f-78
0.359
CHA-MCP-85291e1d-4
0.354
MAR-TRE-f6f5f473-23
0.353
CHA-MCP-85291e1d-2
0.351
JOH-IMS-62aeb97d-5
0.350
MAR-TRE-2fd8122f-17
0.350
TAM-UNI-c140e31a-13
0.350
MAR-TRE-2fd8122f-1
0.349
KEI-TRE-d5e2018a-53
0.349
KEI-TRE-d5e2018a-45
0.347
TAM-UNI-c140e31a-1
0.346
TAM-UNI-c140e31a-7
0.343
MAR-TRE-d0525fbf-33
0.343
MAR-TRE-2fd8122f-55
0.343
MAR-TRE-b77b7921-40
0.342
MAR-TRE-2fd8122f-37
0.340
MAR-TRE-67513f76-55
0.340
KEI-TRE-d5e2018a-24
0.340
TAM-UNI-c140e31a-6
0.340
MAR-TRE-2fd8122f-35
0.339
MAR-TRE-7f7bb9f0-49
0.337
MAR-TRE-2fd8122f-6
0.337
MAR-TRE-d0525fbf-55
0.336
KEI-TRE-d5e2018a-66
0.336
KEI-TRE-d5e2018a-14
0.333
CHR-SOS-70e4c98a-5
0.333
MAR-TRE-3e4e6814-6
0.333
MAR-TRE-f6f5f473-46
0.333
MAK-UNK-ca11b4f7-1
0.333
CHR-SOS-70e4c98a-4
0.330
MAR-TRE-2fd8122f-4
0.330
MAR-TRE-2fd8122f-5
0.330
MAR-TRE-2fd8122f-83
0.330
TAM-UNI-c140e31a-12
0.330
CHR-SOS-70e4c98a-7
0.330
CHR-SOS-70e4c98a-11
0.330
MAR-TRE-2fd8122f-11
0.327
TAM-UNI-c140e31a-14
0.327
KEI-TRE-d5e2018a-49
0.327
MAR-TRE-2fd8122f-85
0.327
CHR-SOS-e960e883-2
0.327
WAR-XCH-eb7b662f-6
0.326
ALE-HEI-f28a35b5-14
0.326
CHR-SOS-70e4c98a-12
0.324
CHR-SOS-70e4c98a-2
0.324
CHR-SOS-70e4c98a-9
0.324
MAR-TRE-2fd8122f-30
0.324
KEI-TRE-d5e2018a-27
0.323
MAR-TRE-7f7bb9f0-16
0.323
MAR-TRE-04c86cea-97
0.323
MAR-TRE-7f7bb9f0-74
0.323
SAN-PRS-52b81272-2
0.322
MAR-TRE-9c797165-95
0.321
CHR-SOS-e960e883-3
0.320
KEI-TRE-d5e2018a-29
0.320
KEI-TRE-d5e2018a-40
0.320
CHA-MCP-85291e1d-5
0.320
MAR-TRE-67513f76-93
0.319
MAR-TRE-7f7bb9f0-56
0.319
SAD-SAT-24589cd1-4
0.318
MAK-UNK-009ebe36-2
0.317
MAK-UNK-009ebe36-3
0.317
KEI-TRE-d5e2018a-17
0.316
MAR-TRE-2fd8122f-57
0.316
SAD-SAT-cefd50cc-7
0.315
MAR-TRE-2fd8122f-100
0.315