Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccnc1 |
MW: | 377.1 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z145985726 |
Enamine Extended REAL: | s_22____57778____138792 |
Mcule: | MCULE-8374901229 |
MolPort: | MolPort-000-993-156 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-10
0.692
KEI-TRE-d5e2018a-13
0.688
MAR-TRE-2fd8122f-55
0.687
KEI-TRE-d5e2018a-61
0.675
KEI-TRE-d5e2018a-9
0.667
KEI-TRE-d5e2018a-22
0.598
MAR-TRE-3e4e6814-34
0.588
KEI-TRE-d5e2018a-32
0.588
MAR-TRE-67513f76-51
0.565
KEI-TRE-d5e2018a-52
0.535
MAR-TRE-2fd8122f-15
0.535
MAR-TRE-2fd8122f-35
0.533
MAR-TRE-2fd8122f-31
0.517
MAR-TRE-3e4e6814-92
0.489
MAR-TRE-fd17a9b8-100
0.459
MAR-TRE-fd17a9b8-47
0.442
KEI-TRE-d5e2018a-36
0.440
MAR-TRE-799db12b-34
0.433
MAR-TRE-fd17a9b8-4
0.422
MAR-TRE-fd17a9b8-50
0.422
SAD-SAT-135344c3-1
0.421
MAK-UNK-009ebe36-4
0.417
MAR-TRE-2fd8122f-94
0.411
JOH-UNI-abdb2f0c-2
0.410
MAK-UNK-009ebe36-2
0.404
MAR-TRE-fd17a9b8-22
0.404
MAR-TRE-a9136c7b-65
0.402
MAR-TRE-fd17a9b8-62
0.398
MAR-TRE-8190bb11-100
0.398
MAR-TRE-4f781e27-67
0.398
MAR-TRE-2fd8122f-33
0.392
MAR-TRE-2fd8122f-22
0.389
KEI-TRE-d5e2018a-73
0.388
MAK-UNK-009ebe36-7
0.384
MAR-TRE-2fd8122f-70
0.384
MAR-TRE-d0525fbf-90
0.382
MAR-TRE-74c6519b-66
0.381
MAR-TRE-2fd8122f-25
0.377
CHR-SOS-7098f804-16
0.376
CHR-SOS-7098f804-17
0.376
MAR-TRE-2fd8122f-95
0.376
MAK-UNK-009ebe36-3
0.375
MAR-TRE-d0525fbf-45
0.374
MAR-TRE-2fd8122f-5
0.374
ALE-MCD-4ac17b19-1
0.372
MAR-TRE-2fd8122f-40
0.371
MAR-TRE-f6f5f473-23
0.371
MAR-TRE-2fd8122f-85
0.371
MAR-TRE-6a44bbf2-100
0.371
AHN-SAT-de2502ba-4
0.371
MAR-TRE-6a44bbf2-42
0.370
MAK-UNK-009ebe36-6
0.369
MAR-TRE-2fd8122f-11
0.369
MAR-TRE-2fd8122f-52
0.367
MAR-TRE-fd17a9b8-92
0.365
KEI-TRE-d5e2018a-50
0.365
MAR-TRE-2fd8122f-89
0.365
MAR-TRE-d0525fbf-14
0.364
KEI-TRE-d5e2018a-79
0.364
MAR-TRE-2fd8122f-84
0.364
MAR-TRE-2fd8122f-58
0.363
MAR-TRE-b77b7921-85
0.362
MAR-TRE-2fd8122f-13
0.362
MAR-TRE-2fd8122f-86
0.361
JOH-UNI-abdb2f0c-1
0.361
KEI-TRE-d5e2018a-54
0.361
MAR-TRE-fd17a9b8-90
0.361
MAR-TRE-7f7bb9f0-6
0.361
KEI-TRE-d5e2018a-75
0.359
KEI-TRE-d5e2018a-93
0.359
KEI-TRE-d5e2018a-44
0.359
CHR-SOS-7098f804-15
0.358
MAR-TRE-04c86cea-35
0.357
SAD-SAT-135344c3-5
0.357
KEI-TRE-d5e2018a-2
0.356
KEI-TRE-d5e2018a-49
0.356
KEI-TRE-d5e2018a-59
0.356
MAR-TRE-4b834d9a-79
0.356
AHN-SAT-de2502ba-9
0.356
SAD-SAT-135344c3-2
0.354
KEI-TRE-d5e2018a-90
0.353
MAR-TRE-2fd8122f-1
0.353
MAR-TRE-d0525fbf-77
0.352
KEI-TRE-d5e2018a-18
0.352
MAR-TRE-2fd8122f-7
0.351
KEI-TRE-d5e2018a-87
0.350
MAR-TRE-a9136c7b-16
0.350
KEI-TRE-d5e2018a-78
0.349
MAR-TRE-7f7bb9f0-33
0.347
MAR-TRE-04c86cea-17
0.347
MAR-TRE-2fd8122f-96
0.347
SAD-SAT-135344c3-4
0.347
MAR-TRE-2fd8122f-4
0.347
CHR-SOS-7098f804-11
0.345
SAD-SAT-2fd372d1-7
0.345
AHN-SAT-de2502ba-16
0.344
KEI-TRE-d5e2018a-38
0.343
MAR-TRE-04c86cea-46
0.340
MAR-TRE-2fd8122f-88
0.340
KEI-TRE-d5e2018a-33
0.340