Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1csc(S(=O)(=O)N2CCOCC2)c1 |
MW: | 353.05 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z432742106 |
Hetero_hetero
KEI-TRE-d5e2018a-32
0.592
MAR-TRE-3e4e6814-34
0.592
KEI-TRE-d5e2018a-22
0.582
KEI-TRE-d5e2018a-52
0.575
MAR-TRE-3e4e6814-92
0.524
KEI-TRE-d5e2018a-61
0.524
MAR-TRE-2fd8122f-15
0.518
KEI-TRE-d5e2018a-10
0.518
KEI-TRE-d5e2018a-53
0.517
MAR-TRE-67513f76-51
0.512
MAK-UNK-009ebe36-4
0.512
KEI-TRE-d5e2018a-36
0.506
MAR-TRE-2fd8122f-94
0.506
KEI-TRE-d5e2018a-13
0.500
KEI-TRE-d5e2018a-9
0.500
MAR-TRE-2fd8122f-55
0.473
MAR-TRE-2fd8122f-35
0.436
SAD-SAT-135344c3-1
0.433
MAR-TRE-2fd8122f-22
0.416
MAR-TRE-2fd8122f-96
0.416
MAR-TRE-799db12b-34
0.414
MAK-UNK-009ebe36-5
0.398
MAR-TRE-2fd8122f-89
0.389
MAR-TRE-4b834d9a-57
0.385
CHR-SOS-7098f804-12
0.385
JOH-UNI-abdb2f0c-1
0.385
MAR-TRE-2fd8122f-34
0.382
KEI-TRE-d5e2018a-90
0.380
MAR-TRE-fd17a9b8-62
0.378
JOH-UNI-abdb2f0c-2
0.378
MAR-TRE-2fd8122f-88
0.376
SAD-SAT-2fd372d1-7
0.370
MAR-TRE-a9136c7b-65
0.367
MAR-TRE-4b834d9a-92
0.365
MAR-TRE-a9136c7b-17
0.363
MAR-TRE-04c86cea-49
0.362
MAK-UNK-009ebe36-1
0.361
MAR-TRE-d0525fbf-90
0.360
MAR-TRE-2fd8122f-33
0.360
MAR-TRE-3e4e6814-45
0.359
KEI-TRE-d5e2018a-70
0.358
MAR-TRE-2fd8122f-71
0.356
ANT-DIA-3c79be55-5
0.356
MAR-TRE-2fd8122f-58
0.356
MAR-TRE-2fd8122f-86
0.356
MAR-TRE-f6f5f473-29
0.356
KEI-TRE-d5e2018a-28
0.356
SAD-SAT-135344c3-4
0.355
KEI-TRE-d5e2018a-86
0.355
JOH-IMS-62aeb97d-4
0.354
ALE-MCD-4ac17b19-1
0.352
MAR-TRE-2fd8122f-82
0.352
MAR-TRE-2fd8122f-29
0.351
MAR-TRE-2fd8122f-36
0.351
MAR-TRE-8190bb11-100
0.348
MAR-TRE-4f781e27-67
0.348
MAR-TRE-2fd8122f-65
0.348
MAR-TRE-2fd8122f-7
0.344
CHR-SOS-7098f804-19
0.344
MAK-UNK-009ebe36-9
0.343
ANT-DIA-3c79be55-4
0.341
KEI-TRE-d5e2018a-58
0.340
MAK-UNK-009ebe36-2
0.340
MAR-TRE-4b834d9a-43
0.340
KEI-TRE-d5e2018a-73
0.340
MAR-TRE-2fd8122f-40
0.340
ALE-HEI-f28a35b5-16
0.338
MAK-UNK-d1e89583-9
0.337
MAR-TRE-2fd8122f-19
0.337
SAD-SAT-135344c3-5
0.337
MAR-TRE-2fd8122f-24
0.337
JOR-UNI-2fc98d0b-1
0.337
MAK-UNK-009ebe36-6
0.337
MAR-TRE-4b834d9a-24
0.337
KEI-TRE-d5e2018a-65
0.333
MAK-UNK-d1e89583-7
0.333
ASH-UNK-40b46b30-15
0.333
SAD-SAT-135344c3-2
0.333
CHR-SOS-7098f804-18
0.333
MAR-TRE-d0525fbf-45
0.330
JOR-UNI-61e7b1d5-16
0.330
JOR-UNI-2fc98d0b-6
0.330
KEI-TRE-d5e2018a-79
0.330
MAR-TRE-d0525fbf-14
0.330
KEI-TRE-d5e2018a-71
0.330
MAR-TRE-f6f5f473-75
0.330
SAD-SAT-2ceae68f-9
0.330
JOH-IMS-62aeb97d-3
0.329
SAD-SAT-f25ee457-3
0.327
MAR-TRE-04c86cea-65
0.327
MAR-TRE-2fd8122f-5
0.327
KEI-TRE-d5e2018a-56
0.327
SAD-SAT-135344c3-3
0.326
MAR-TRE-799db12b-64
0.326
MAR-TRE-f6f5f473-79
0.326
MAR-TRE-b77b7921-70
0.326
MAR-TRE-7f7bb9f0-82
0.326
MAK-UNK-009ebe36-3
0.326
NAU-LAT-445f63e5-6
0.326
MAR-TRE-7f7bb9f0-33
0.326