Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br |
MW: | 425.0 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 2.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31790969 |
Mcule: | MCULE-2169919644 |
MolPort: | MolPort-002-307-185 |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-61
0.730
KEI-TRE-d5e2018a-9
0.720
KEI-TRE-d5e2018a-13
0.720
KEI-TRE-d5e2018a-53
0.692
KEI-TRE-d5e2018a-22
0.623
KEI-TRE-d5e2018a-32
0.613
MAR-TRE-3e4e6814-34
0.613
MAR-TRE-2fd8122f-55
0.595
MAR-TRE-67513f76-51
0.588
KEI-TRE-d5e2018a-52
0.575
MAR-TRE-2fd8122f-15
0.575
MAR-TRE-2fd8122f-31
0.518
MAR-TRE-3e4e6814-92
0.506
KEI-TRE-d5e2018a-36
0.453
MAR-TRE-2fd8122f-35
0.452
SAD-SAT-135344c3-1
0.449
MAR-TRE-799db12b-34
0.447
MAK-UNK-009ebe36-4
0.444
MAR-TRE-2fd8122f-85
0.443
MAR-TRE-fd17a9b8-62
0.442
MAR-TRE-2fd8122f-94
0.438
JOH-UNI-abdb2f0c-2
0.421
MAK-UNK-009ebe36-2
0.416
MAR-TRE-2fd8122f-5
0.413
KEI-TRE-d5e2018a-73
0.413
MAR-TRE-d0525fbf-90
0.410
MAR-TRE-2fd8122f-89
0.404
MAR-TRE-2fd8122f-33
0.402
MAR-TRE-2fd8122f-22
0.400
CHR-SOS-7098f804-15
0.398
MAR-TRE-a9136c7b-65
0.398
MAR-TRE-6a44bbf2-100
0.398
AHN-SAT-de2502ba-4
0.398
MAR-TRE-2fd8122f-86
0.396
MAR-TRE-2fd8122f-70
0.394
MAK-UNK-009ebe36-7
0.394
MAR-TRE-4f781e27-67
0.393
MAR-TRE-8190bb11-100
0.393
MAR-TRE-2fd8122f-52
0.391
SAD-SAT-2fd372d1-7
0.388
KEI-TRE-d5e2018a-79
0.387
MAR-TRE-d0525fbf-14
0.387
MAR-TRE-2fd8122f-13
0.386
MAR-TRE-2fd8122f-96
0.385
JOH-UNI-abdb2f0c-1
0.385
ALE-MCD-4ac17b19-1
0.382
JOH-IMS-62aeb97d-3
0.380
SAD-SAT-135344c3-2
0.378
MAK-UNK-009ebe36-6
0.378
MAR-TRE-74c6519b-66
0.376
MAR-TRE-2fd8122f-7
0.374
MAR-TRE-2fd8122f-84
0.372
JOH-IMS-62aeb97d-4
0.372
MAR-TRE-2fd8122f-95
0.371
MAR-TRE-a9136c7b-16
0.371
CHR-SOS-7098f804-11
0.370
JAN-GHE-4287bd1a-9
0.370
SAD-SAT-135344c3-4
0.370
MAR-TRE-04c86cea-17
0.370
MAK-UNK-009ebe36-3
0.370
AHN-SAT-de2502ba-16
0.369
MAR-TRE-d0525fbf-45
0.369
SAD-SAT-f25ee457-3
0.366
SAD-SAT-135344c3-5
0.366
MAR-TRE-f6f5f473-23
0.366
MAR-TRE-04c86cea-35
0.366
AHN-SAT-de2502ba-9
0.365
KEI-TRE-d5e2018a-38
0.365
MAR-TRE-04c86cea-46
0.363
MAR-TRE-2fd8122f-88
0.362
MAR-TRE-d0525fbf-77
0.360
MAR-TRE-3e4e6814-80
0.359
MAR-TRE-2fd8122f-58
0.356
ALE-HEI-f28a35b5-16
0.354
MAK-UNK-009ebe36-5
0.354
MAR-TRE-2fd8122f-37
0.352
SAD-SAT-f25ee457-8
0.352
MAR-TRE-2fd8122f-36
0.351
TAT-ENA-80bfd3e5-27
0.351
JOR-UNI-2fc98d0b-1
0.351
MAR-TRE-a9136c7b-38
0.350
TAM-UNI-c140e31a-13
0.347
KEI-TRE-d5e2018a-90
0.346
CHR-SOS-7098f804-14
0.345
CHR-SOS-7098f804-19
0.344
CHR-SOS-7098f804-17
0.343
ANT-DIA-3c79be55-4
0.341
ANT-DIA-3c79be55-5
0.341
MAR-TRE-7f7bb9f0-33
0.341
MAR-TRE-4b834d9a-57
0.340
SAD-SAT-135344c3-3
0.340
TAM-UNI-c140e31a-7
0.340
MAR-TRE-2fd8122f-4
0.340
TAM-UNI-c140e31a-12
0.340
ALE-HEI-f28a35b5-14
0.338
CHR-SOS-7098f804-13
0.337
KEI-TRE-d5e2018a-44
0.337
MAR-TRE-2fd8122f-29
0.337
TAM-UNI-c140e31a-14
0.337
TAM-UNI-c140e31a-6
0.337