Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1O |
MW: | 363.09 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.83 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3222173585 |
Mcule: | MCULE-4751188086 |
MolPort: | MolPort-004-916-909 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-10
0.730
KEI-TRE-d5e2018a-9
0.701
KEI-TRE-d5e2018a-13
0.701
KEI-TRE-d5e2018a-53
0.675
KEI-TRE-d5e2018a-22
0.628
KEI-TRE-d5e2018a-32
0.597
MAR-TRE-3e4e6814-34
0.597
MAR-TRE-2fd8122f-55
0.581
MAR-TRE-67513f76-51
0.573
KEI-TRE-d5e2018a-52
0.561
MAR-TRE-2fd8122f-15
0.561
MAR-TRE-2fd8122f-31
0.524
MAR-TRE-3e4e6814-92
0.494
CHR-SOS-7098f804-11
0.487
MAR-TRE-a9136c7b-65
0.453
KEI-TRE-d5e2018a-36
0.443
MAR-TRE-2fd8122f-35
0.442
SAD-SAT-135344c3-1
0.440
MAR-TRE-799db12b-34
0.437
MAK-UNK-009ebe36-4
0.435
MAR-TRE-2fd8122f-94
0.429
MAR-TRE-fd17a9b8-62
0.416
JOH-UNI-abdb2f0c-2
0.412
MAK-UNK-009ebe36-2
0.407
KEI-TRE-d5e2018a-73
0.404
MAR-TRE-d0525fbf-90
0.400
MAR-TRE-2fd8122f-33
0.394
MAR-TRE-2fd8122f-22
0.391
MAR-TRE-2fd8122f-5
0.389
CHR-SOS-7098f804-15
0.389
MAR-TRE-6a44bbf2-100
0.388
AHN-SAT-de2502ba-4
0.388
MAR-TRE-2fd8122f-85
0.387
MAK-UNK-009ebe36-7
0.385
MAR-TRE-2fd8122f-70
0.385
MAR-TRE-8190bb11-100
0.385
MAR-TRE-4f781e27-67
0.385
MAR-TRE-2fd8122f-52
0.383
MAR-TRE-2fd8122f-89
0.380
MAR-TRE-2fd8122f-7
0.380
MAR-TRE-3e4e6814-80
0.379
MAR-TRE-2fd8122f-13
0.378
JOH-UNI-abdb2f0c-1
0.376
MAR-TRE-2fd8122f-86
0.375
ALE-MCD-4ac17b19-1
0.374
MAK-UNK-009ebe36-6
0.370
SAD-SAT-135344c3-2
0.370
MAR-TRE-2fd8122f-88
0.368
KEI-TRE-d5e2018a-79
0.365
MAR-TRE-2fd8122f-84
0.365
MAR-TRE-d0525fbf-14
0.365
MAR-TRE-2fd8122f-95
0.364
MAR-TRE-d0525fbf-45
0.362
MAR-TRE-04c86cea-17
0.362
MAR-TRE-2fd8122f-96
0.362
MAK-UNK-009ebe36-3
0.362
SAD-SAT-135344c3-4
0.362
SAD-SAT-2fd372d1-7
0.361
AHN-SAT-de2502ba-16
0.360
MAR-TRE-f6f5f473-23
0.358
MAR-TRE-04c86cea-35
0.358
SAD-SAT-135344c3-5
0.358
MAK-UNK-69bf97dd-5
0.357
AHN-SAT-de2502ba-9
0.356
MAR-TRE-74c6519b-66
0.356
MAR-TRE-04c86cea-46
0.355
MAR-TRE-d0525fbf-77
0.353
MAR-TRE-a9136c7b-16
0.350
CHR-SOS-7098f804-17
0.350
MAR-TRE-2fd8122f-58
0.348
MAR-TRE-4b834d9a-57
0.347
MAK-UNK-009ebe36-5
0.347
JOH-IMS-62aeb97d-4
0.346
JAN-GHE-4287bd1a-9
0.345
SAD-SAT-f25ee457-8
0.344
MAR-TRE-2fd8122f-37
0.344
CHR-SOS-7098f804-13
0.344
MAR-TRE-2fd8122f-36
0.344
KEI-TRE-d5e2018a-38
0.343
CHR-SOS-7098f804-12
0.341
TAM-UNI-c140e31a-13
0.340
JOH-IMS-62aeb97d-3
0.337
KEI-TRE-d5e2018a-90
0.337
CHR-SOS-7098f804-14
0.337
TAM-UNI-c140e31a-12
0.333
MAR-TRE-2fd8122f-4
0.333
MAR-TRE-f6f5f473-29
0.333
KEI-TRE-d5e2018a-28
0.333
SAD-SAT-f25ee457-3
0.333
SAD-SAT-135344c3-3
0.333
ANT-DIA-3c79be55-4
0.333
ANT-DIA-3c79be55-5
0.333
CHR-SOS-7098f804-16
0.333
MAR-TRE-7f7bb9f0-33
0.333
TAM-UNI-c140e31a-7
0.333
MAR-TRE-a9136c7b-38
0.330
TAM-UNI-c140e31a-14
0.330
JOR-UNI-2fc98d0b-1
0.330
TAM-UNI-c140e31a-6
0.330
MAR-TRE-2fd8122f-29
0.330