Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 |
MW: | 347.09 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 1.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791923 |
Enamine Extended REAL: | s_22____57778____59105 |
Mcule: | MCULE-8684241673 |
Mcule Ultimate: | ZJHVYKYBSDVYHJ-UHFFFAOYSA-N |
MolPort: | MolPort-004-916-942 |
Hetero_hetero
ALE-HEI-f28a35b5-9
MAR-TRE-3e4e6814-34
1.000
KEI-TRE-d5e2018a-22
0.667
MAR-TRE-2fd8122f-22
0.635
KEI-TRE-d5e2018a-36
0.622
MAR-TRE-2fd8122f-15
0.613
KEI-TRE-d5e2018a-10
0.613
MAR-TRE-fd17a9b8-62
0.608
KEI-TRE-d5e2018a-61
0.597
MAR-TRE-2fd8122f-31
0.592
KEI-TRE-d5e2018a-52
0.592
KEI-TRE-d5e2018a-9
0.590
KEI-TRE-d5e2018a-13
0.590
KEI-TRE-d5e2018a-53
0.588
MAR-TRE-67513f76-51
0.584
MAR-TRE-2fd8122f-55
0.536
MAR-TRE-3e4e6814-92
0.519
MAR-TRE-2fd8122f-58
0.507
MAR-TRE-4b834d9a-57
0.494
MAK-UNK-009ebe36-4
0.488
SAD-SAT-135344c3-1
0.476
MAR-TRE-2fd8122f-34
0.475
MAR-TRE-2fd8122f-82
0.475
MAR-TRE-2fd8122f-24
0.470
MAR-TRE-2fd8122f-65
0.469
SAD-SAT-135344c3-2
0.469
MAR-TRE-4b834d9a-92
0.465
MAR-TRE-2fd8122f-94
0.464
MAR-TRE-f6f5f473-75
0.463
MAR-TRE-f6f5f473-79
0.458
MAR-TRE-799db12b-34
0.457
ALE-MCD-4ac17b19-1
0.457
MAR-TRE-2fd8122f-35
0.444
MAK-UNK-009ebe36-3
0.440
SAD-SAT-135344c3-4
0.440
MAR-TRE-d0525fbf-90
0.436
SAD-SAT-135344c3-5
0.435
MAR-TRE-4b834d9a-24
0.429
MAR-TRE-04c86cea-65
0.420
MAR-TRE-4b834d9a-67
0.416
KEI-TRE-d5e2018a-38
0.416
MAR-TRE-04c86cea-90
0.412
MAR-TRE-2fd8122f-89
0.412
KEI-TRE-d5e2018a-71
0.409
MAR-TRE-04c86cea-17
0.407
JOH-UNI-abdb2f0c-1
0.407
KEI-TRE-d5e2018a-90
0.405
MAR-TRE-a9136c7b-65
0.405
KEI-TRE-d5e2018a-56
0.404
MAR-TRE-04c86cea-35
0.402
MAR-TRE-f6f5f473-23
0.402
KEI-TRE-d5e2018a-100
0.402
KEI-TRE-d5e2018a-91
0.402
MAR-TRE-8190bb11-100
0.400
MAR-TRE-4f781e27-67
0.400
MAR-TRE-4b834d9a-71
0.398
SAD-SAT-2fd372d1-7
0.395
KEI-TRE-d5e2018a-82
0.393
MAR-TRE-2fd8122f-13
0.393
CHR-SOS-7098f804-12
0.392
MAK-UNK-009ebe36-2
0.391
MAK-UNK-009ebe36-5
0.389
KEI-TRE-d5e2018a-73
0.389
MAR-TRE-f6f5f473-36
0.386
MAR-TRE-04c86cea-46
0.384
JOH-UNI-abdb2f0c-2
0.383
MAR-TRE-2fd8122f-33
0.379
JOH-IMS-62aeb97d-4
0.378
KEI-TRE-d5e2018a-28
0.376
MAR-TRE-f6f5f473-29
0.376
MAR-TRE-f6f5f473-58
0.376
AHN-SAT-de2502ba-4
0.370
MAR-TRE-6a44bbf2-100
0.370
MAK-UNK-009ebe36-7
0.370
MAR-TRE-74c6519b-66
0.367
MAR-TRE-2fd8122f-88
0.367
MAR-TRE-4b834d9a-63
0.367
MAR-TRE-3e4e6814-45
0.364
MAR-TRE-d0525fbf-14
0.363
CHR-SOS-7098f804-19
0.363
KEI-TRE-d5e2018a-70
0.363
KEI-TRE-d5e2018a-79
0.363
ANT-DIA-3c79be55-4
0.362
MAR-TRE-a9136c7b-16
0.362
ANT-DIA-3c79be55-5
0.361
MAR-TRE-2fd8122f-71
0.361
MAR-TRE-d0525fbf-45
0.360
ALE-HEI-f28a35b5-16
0.360
MAR-TRE-2fd8122f-96
0.360
SAD-SAT-135344c3-3
0.360
KEI-TRE-d5e2018a-86
0.360
JAN-GHE-4287bd1a-9
0.359
MAR-TRE-2fd8122f-29
0.356
KEI-TRE-d5e2018a-83
0.355
MAK-UNK-009ebe36-6
0.354
JOH-IMS-62aeb97d-3
0.351
ASH-UNK-40b46b30-15
0.350
MAK-UNK-129dcd6f-12
0.349
MAR-TRE-2fd8122f-7
0.348
DAR-DIA-842b4336-2
0.347
MAR-TRE-2fd8122f-86
0.347