Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccnc1 |
MW: | 361.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791953 |
Mcule: | MCULE-8498791898 |
MolPort: | MolPort-003-185-900 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-10
0.720
KEI-TRE-d5e2018a-61
0.701
KEI-TRE-d5e2018a-9
0.692
KEI-TRE-d5e2018a-53
0.688
KEI-TRE-d5e2018a-22
0.600
MAR-TRE-2fd8122f-55
0.593
KEI-TRE-d5e2018a-32
0.590
MAR-TRE-3e4e6814-34
0.590
MAR-TRE-67513f76-51
0.585
MAR-TRE-2fd8122f-15
0.554
KEI-TRE-d5e2018a-52
0.554
MAR-TRE-3e4e6814-92
0.541
MAR-TRE-2fd8122f-84
0.517
MAR-TRE-2fd8122f-95
0.511
MAR-TRE-2fd8122f-31
0.500
MAR-TRE-2fd8122f-35
0.468
MAR-TRE-8190bb11-100
0.460
SAD-SAT-135344c3-1
0.451
MAR-TRE-2fd8122f-70
0.441
KEI-TRE-d5e2018a-36
0.438
AHN-SAT-de2502ba-9
0.434
MAR-TRE-799db12b-34
0.432
MAK-UNK-009ebe36-4
0.430
MAR-TRE-2fd8122f-94
0.424
JOH-UNI-abdb2f0c-2
0.423
MAK-UNK-009ebe36-2
0.418
MAR-TRE-fd17a9b8-62
0.411
MAR-TRE-2fd8122f-5
0.400
KEI-TRE-d5e2018a-73
0.400
AHN-SAT-de2502ba-4
0.400
MAR-TRE-6a44bbf2-100
0.400
MAR-TRE-4f781e27-67
0.396
MAR-TRE-d0525fbf-90
0.395
MAR-TRE-2fd8122f-89
0.391
MAR-TRE-2fd8122f-33
0.390
MAR-TRE-2fd8122f-22
0.387
MAK-UNK-009ebe36-3
0.387
MAR-TRE-d0525fbf-45
0.385
MAR-TRE-a9136c7b-65
0.385
ALE-MCD-4ac17b19-1
0.385
CHR-SOS-7098f804-15
0.385
MAR-TRE-2fd8122f-86
0.385
MAR-TRE-2fd8122f-85
0.383
MAR-TRE-f6f5f473-23
0.383
MAK-UNK-009ebe36-7
0.381
MAR-TRE-2fd8122f-52
0.379
MAR-TRE-d0525fbf-14
0.375
KEI-TRE-d5e2018a-79
0.375
MAR-TRE-2fd8122f-13
0.374
SAD-SAT-2fd372d1-7
0.373
CHR-SOS-7098f804-11
0.373
JOH-UNI-abdb2f0c-1
0.372
AHN-SAT-de2502ba-16
0.372
SAD-SAT-135344c3-5
0.368
MAK-UNK-009ebe36-6
0.366
SAD-SAT-135344c3-2
0.366
MAR-TRE-74c6519b-66
0.365
MAR-TRE-2fd8122f-88
0.365
MAR-TRE-2fd8122f-7
0.362
JOR-UNI-2fc98d0b-6
0.360
MAR-TRE-2fd8122f-58
0.360
JOH-IMS-62aeb97d-4
0.358
MAR-TRE-04c86cea-17
0.358
SAD-SAT-135344c3-4
0.358
KEI-TRE-d5e2018a-86
0.358
SAD-SAT-135344c3-3
0.358
MAR-TRE-2fd8122f-4
0.357
MAR-TRE-2fd8122f-82
0.355
MAR-TRE-2fd8122f-24
0.354
MAR-TRE-2fd8122f-29
0.354
MAR-TRE-04c86cea-35
0.354
TAT-ENA-80bfd3e5-27
0.354
JOR-UNI-2fc98d0b-1
0.354
MAR-TRE-a9136c7b-38
0.352
MAR-TRE-04c86cea-46
0.351
MAR-TRE-2fd8122f-6
0.351
MAR-TRE-2fd8122f-1
0.350
MAR-TRE-d0525fbf-77
0.350
MAR-TRE-3e4e6814-80
0.349
MAR-TRE-6a44bbf2-83
0.348
AHN-SAT-de2502ba-13
0.348
CHR-SOS-7098f804-14
0.348
KEI-TRE-d5e2018a-70
0.347
MAR-TRE-a9136c7b-16
0.347
JOR-UNI-61e7b1d5-4
0.346
JOR-UNI-61e7b1d5-17
0.345
ANT-DIA-3c79be55-4
0.345
MAR-TRE-7f7bb9f0-33
0.344
MAR-TRE-2fd8122f-96
0.344
MAR-TRE-7f7bb9f0-82
0.344
MAK-UNK-009ebe36-5
0.343
ALE-HEI-f28a35b5-16
0.341
JAN-GHE-4287bd1a-9
0.341
MAR-TRE-2fd8122f-37
0.341
MAR-TRE-6a44bbf2-63
0.341
KEI-TRE-d5e2018a-44
0.341
CHR-SOS-7098f804-13
0.341
MAR-TRE-2fd8122f-19
0.340
MAR-TRE-c317dd82-22
0.340
KEI-TRE-d5e2018a-38
0.340