Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 |
MW: | 336.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 104.39 |
cLogP: | 0.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z117417322 |
Hetero_hetero
MAR-TRE-3e4e6814-34
0.613
KEI-TRE-d5e2018a-32
0.613
KEI-TRE-d5e2018a-22
0.603
MAR-TRE-67513f76-51
0.588
KEI-TRE-d5e2018a-10
0.575
KEI-TRE-d5e2018a-52
0.575
KEI-TRE-d5e2018a-61
0.561
KEI-TRE-d5e2018a-9
0.554
KEI-TRE-d5e2018a-13
0.554
KEI-TRE-d5e2018a-53
0.535
MAR-TRE-3e4e6814-92
0.524
MAR-TRE-2fd8122f-55
0.523
MAR-TRE-2fd8122f-76
0.519
MAR-TRE-2fd8122f-31
0.518
KEI-TRE-d5e2018a-36
0.471
MAR-TRE-2fd8122f-11
0.467
MAK-UNK-009ebe36-4
0.444
MAR-TRE-2fd8122f-94
0.438
MAR-TRE-2fd8122f-35
0.436
SAD-SAT-135344c3-1
0.433
MAR-TRE-799db12b-34
0.430
MAR-TRE-d0525fbf-90
0.427
MAR-TRE-fd17a9b8-62
0.425
MAR-TRE-2fd8122f-22
0.416
JOH-UNI-abdb2f0c-1
0.400
MAR-TRE-4f781e27-67
0.393
MAR-TRE-2fd8122f-89
0.389
MAR-TRE-2fd8122f-33
0.388
KEI-TRE-d5e2018a-73
0.383
JOH-UNI-abdb2f0c-2
0.378
MAR-TRE-2fd8122f-88
0.376
JOH-IMS-62aeb97d-4
0.372
MAR-TRE-2fd8122f-13
0.371
SAD-SAT-2fd372d1-7
0.370
MAK-UNK-009ebe36-2
0.370
MAR-TRE-2fd8122f-96
0.370
ALE-MCD-4ac17b19-1
0.367
MAR-TRE-a9136c7b-65
0.367
MAR-TRE-2fd8122f-29
0.366
MAR-TRE-2fd8122f-36
0.366
MAR-TRE-6a44bbf2-100
0.365
AHN-SAT-de2502ba-4
0.365
MAK-UNK-009ebe36-7
0.365
KEI-TRE-d5e2018a-38
0.365
MAK-UNK-009ebe36-6
0.364
SAD-SAT-135344c3-2
0.363
MAR-TRE-8190bb11-100
0.363
MAR-TRE-2fd8122f-86
0.356
MAK-UNK-009ebe36-3
0.355
SAD-SAT-135344c3-4
0.355
MAR-TRE-4b834d9a-57
0.355
ALE-HEI-f28a35b5-16
0.354
MAK-UNK-009ebe36-5
0.354
MAR-TRE-04c86cea-35
0.351
SAD-SAT-135344c3-5
0.351
MAR-TRE-2fd8122f-19
0.351
CHR-SOS-7098f804-12
0.350
MAR-TRE-04c86cea-46
0.348
ASH-UNK-40b46b30-15
0.346
MAR-TRE-2fd8122f-7
0.344
MAR-TRE-d0525fbf-14
0.344
KEI-TRE-d5e2018a-79
0.344
MAR-TRE-d0525fbf-45
0.343
ANT-DIA-3c79be55-4
0.341
MAR-TRE-2fd8122f-78
0.341
ANT-DIA-3c79be55-5
0.341
MAR-TRE-2fd8122f-58
0.341
MAR-TRE-f6f5f473-29
0.341
KEI-TRE-d5e2018a-28
0.341
MAR-TRE-04c86cea-17
0.340
MAR-TRE-2fd8122f-5
0.340
MAR-TRE-2fd8122f-37
0.337
MAR-TRE-2fd8122f-82
0.337
MAR-TRE-2fd8122f-24
0.337
MAR-TRE-f6f5f473-23
0.337
JOR-UNI-2fc98d0b-1
0.337
MAR-TRE-4b834d9a-92
0.337
MAR-TRE-74c6519b-66
0.337
MAR-TRE-2fd8122f-52
0.333
MAR-TRE-2fd8122f-65
0.333
MAR-TRE-4b834d9a-63
0.333
MAR-TRE-d0525fbf-77
0.333
MAR-TRE-a9136c7b-16
0.330
JOR-UNI-2fc98d0b-6
0.330
KEI-TRE-d5e2018a-70
0.330
MAR-TRE-3e4e6814-45
0.330
JOH-IMS-62aeb97d-3
0.329
KEI-TRE-d5e2018a-90
0.329
SAD-SAT-f25ee457-3
0.327
MAR-TRE-f6f5f473-79
0.326
KEI-TRE-d5e2018a-86
0.326
SAD-SAT-135344c3-3
0.326
MAR-TRE-7f7bb9f0-82
0.326
MAR-TRE-b77b7921-85
0.326
MAR-TRE-7f7bb9f0-33
0.326
JOR-UNI-61e7b1d5-3
0.324
MAR-TRE-4b834d9a-24
0.324
MAR-TRE-2fd8122f-70
0.323
MAR-TRE-c317dd82-22
0.323
MAR-TRE-2fd8122f-85
0.323