Molecular Properties | |
SMILES: | O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccnc1 |
MW: | 367.07 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 1.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791808 |
Hetero_hetero
MAK-UNK-009ebe36-4
0.650
MAK-UNK-009ebe36-5
0.535
DAR-DIA-842b4336-13
0.514
DAR-DIA-842b4336-12
0.514
MAR-TRE-2fd8122f-31
0.506
MAK-UNK-009ebe36-1
0.506
MAR-TRE-2fd8122f-35
0.505
DAR-DIA-842b4336-14
0.494
KEI-TRE-d5e2018a-32
0.464
MAR-TRE-3e4e6814-34
0.464
MAR-TRE-3e4e6814-92
0.461
SAD-SAT-135344c3-1
0.456
KEI-TRE-d5e2018a-52
0.455
SAD-SAT-2ceae68f-9
0.451
MAR-TRE-a9136c7b-17
0.448
KEI-TRE-d5e2018a-22
0.443
KEI-TRE-d5e2018a-9
0.440
MAR-TRE-2fd8122f-15
0.438
KEI-TRE-d5e2018a-10
0.438
MAR-TRE-67513f76-51
0.433
KEI-TRE-d5e2018a-61
0.429
KEI-TRE-d5e2018a-13
0.424
DAR-DIA-842b4336-11
0.418
KEI-TRE-d5e2018a-36
0.411
KEI-TRE-d5e2018a-53
0.411
SAD-SAT-24589cd1-4
0.408
MAR-TRE-2fd8122f-37
0.407
MAR-TRE-2fd8122f-55
0.402
ALE-HEI-f28a35b5-5
0.400
MAK-UNK-a7b37c5e-2
0.395
DAR-DIA-842b4336-16
0.395
SAN-PRS-52b81272-2
0.395
DAR-DIA-842b4336-10
0.392
CHA-MCP-85291e1d-2
0.388
MAK-UNK-a7b37c5e-1
0.388
SAD-SAT-f25ee457-3
0.386
MAR-TRE-67513f76-81
0.386
MAK-UNK-a7b37c5e-4
0.385
MAR-TRE-4b834d9a-63
0.383
MAK-UNK-a7b37c5e-5
0.380
MAR-TRE-67513f76-13
0.379
DAR-DIA-842b4336-15
0.376
MAD-FNM-74857450-1
0.375
JOH-IMS-62aeb97d-5
0.375
MAK-UNK-ca11b4f7-1
0.375
MAK-UNK-69bf97dd-3
0.375
MAK-UNK-c749d764-17
0.370
DAR-DIA-23aa0b97-16
0.370
CHA-MCP-85291e1d-5
0.368
EDG-MED-0da5ad92-2
0.366
MAR-TRE-3e4e6814-80
0.365
MAR-TRE-2fd8122f-78
0.365
ALE-HEI-f28a35b5-14
0.364
MAR-TRE-2fd8122f-99
0.364
MAR-TRE-7f7bb9f0-82
0.362
SAD-SAT-135344c3-3
0.362
SAD-SAT-2fd372d1-7
0.361
MED-UNK-e6e8ef8a-3
0.361
MAR-TRE-9c797165-94
0.360
MAK-UNK-c749d764-27
0.357
CHR-SOS-f7373dd1-6
0.356
MAR-TRE-7f7bb9f0-81
0.355
MAR-TRE-fd17a9b8-62
0.355
SAD-SAT-135344c3-2
0.355
MAR-TRE-04c86cea-49
0.354
KEI-TRE-d5e2018a-65
0.354
MED-UNK-e6e8ef8a-4
0.353
MAK-UNK-c749d764-13
0.352
MAR-TRE-d0525fbf-90
0.352
MAR-TRE-2fd8122f-39
0.351
MAR-TRE-2fd8122f-89
0.351
MAK-UNK-009ebe36-9
0.350
MED-UNK-e6e8ef8a-6
0.349
CHR-SOS-f7373dd1-3
0.348
MAR-TRE-7f7bb9f0-33
0.348
MAR-TRE-d0525fbf-64
0.348
JOH-UNI-abdb2f0c-1
0.347
MAR-TRE-2fd8122f-96
0.347
TAM-UNI-c140e31a-7
0.347
JOH-IMS-62aeb97d-4
0.346
FRA-FAC-9ed5a63a-2
0.345
MED-UNK-e6e8ef8a-2
0.345
ANN-UNI-26382800-5
0.345
MAR-TRE-67513f76-73
0.345
KAL-WAB-eb347ebe-1
0.345
DAR-DIA-23aa0b97-17
0.345
ALE-MCD-4ac17b19-1
0.344
NIM-UNI-05f93fcc-6
0.344
JOR-UNI-2fc98d0b-1
0.343
MAR-TRE-7f7bb9f0-76
0.343
MAR-TRE-3e4e6814-27
0.343
MAR-TRE-7f7bb9f0-49
0.341
MAR-TRE-6a44bbf2-100
0.341
AHN-SAT-de2502ba-4
0.341
MAR-TRE-04c86cea-46
0.340
MAR-TRE-9c797165-14
0.340
MAR-TRE-04c86cea-41
0.340
MAR-TRE-2fd8122f-88
0.340
MAR-TRE-3e4e6814-79
0.340
TAM-UNI-c140e31a-13
0.340