Molecular Properties | |
SMILES: | Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccnc1 |
MW: | 350.1 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 93.53 |
cLogP: | 0.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-007-724-766 |
Hetero_hetero
KEI-TRE-d5e2018a-22
0.595
MAR-TRE-2fd8122f-15
0.588
KEI-TRE-d5e2018a-10
0.588
KEI-TRE-d5e2018a-13
0.585
KEI-TRE-d5e2018a-32
0.584
MAR-TRE-3e4e6814-34
0.584
KEI-TRE-d5e2018a-61
0.573
MAR-TRE-2fd8122f-55
0.570
KEI-TRE-d5e2018a-52
0.568
KEI-TRE-d5e2018a-9
0.566
KEI-TRE-d5e2018a-53
0.565
MAR-TRE-6a44bbf2-63
0.538
MAR-TRE-3e4e6814-92
0.518
MAR-TRE-c317dd82-22
0.517
MAR-TRE-2fd8122f-31
0.512
MAK-UNK-009ebe36-4
0.456
KEI-TRE-d5e2018a-36
0.448
MAR-TRE-2fd8122f-35
0.447
SAD-SAT-135344c3-1
0.444
MAR-TRE-2fd8122f-94
0.433
MAR-TRE-d0525fbf-90
0.422
MAR-TRE-2fd8122f-37
0.412
MAK-UNK-009ebe36-2
0.411
MAR-TRE-799db12b-34
0.409
MAR-TRE-fd17a9b8-62
0.404
MAR-TRE-2fd8122f-89
0.400
MAR-TRE-c317dd82-78
0.398
MAR-TRE-c317dd82-2
0.396
ALE-HEI-f28a35b5-16
0.385
MAR-TRE-2fd8122f-22
0.380
JOH-UNI-abdb2f0c-1
0.380
ALE-MCD-4ac17b19-1
0.378
JOH-UNI-abdb2f0c-2
0.374
SAD-SAT-135344c3-2
0.374
MAR-TRE-2fd8122f-88
0.372
MAR-TRE-2fd8122f-13
0.367
SAD-SAT-2fd372d1-7
0.366
MAR-TRE-2fd8122f-96
0.366
MAK-UNK-009ebe36-3
0.366
KEI-TRE-d5e2018a-73
0.365
MAK-UNK-009ebe36-5
0.365
SAD-SAT-135344c3-5
0.362
MAK-UNK-009ebe36-7
0.361
MAR-TRE-6a44bbf2-100
0.360
AHN-SAT-de2502ba-4
0.360
MAR-TRE-8190bb11-100
0.359
MAR-TRE-4f781e27-67
0.359
MAR-TRE-2fd8122f-33
0.356
DAR-DIA-842b4336-2
0.354
DAR-DIA-842b4336-11
0.354
ANT-DIA-3c79be55-4
0.353
SAD-SAT-135344c3-4
0.351
MAR-TRE-2fd8122f-5
0.351
JOH-IMS-62aeb97d-4
0.350
MAR-TRE-a9136c7b-65
0.348
MAR-TRE-2fd8122f-76
0.348
MAR-TRE-f6f5f473-23
0.347
MAR-TRE-2fd8122f-29
0.347
MAR-TRE-2fd8122f-70
0.347
MAR-TRE-74c6519b-66
0.346
CHR-SOS-7098f804-12
0.346
MAR-TRE-04c86cea-46
0.344
TAM-UNI-c140e31a-13
0.344
MAR-TRE-2fd8122f-52
0.344
MAR-TRE-4b834d9a-63
0.344
JOH-IMS-62aeb97d-3
0.341
MAR-TRE-9c797165-52
0.341
KEI-TRE-d5e2018a-79
0.340
MAR-TRE-2fd8122f-84
0.340
MAR-TRE-d0525fbf-14
0.340
JOR-UNI-2fc98d0b-6
0.340
MAR-TRE-d0525fbf-45
0.340
MAR-TRE-2fd8122f-86
0.340
MAR-TRE-2fd8122f-58
0.337
ANT-DIA-3c79be55-5
0.337
MAR-TRE-b77b7921-85
0.337
KEI-TRE-d5e2018a-28
0.337
MAR-TRE-7f7bb9f0-33
0.337
MAR-TRE-f6f5f473-29
0.337
MAR-TRE-04c86cea-17
0.337
MAR-TRE-7f7bb9f0-82
0.337
SAD-SAT-135344c3-3
0.337
MAR-TRE-4b834d9a-57
0.337
TAM-UNI-c140e31a-12
0.337
TAM-UNI-c140e31a-7
0.337
SAD-SAT-f25ee457-8
0.333
MAR-TRE-2fd8122f-11
0.333
MAR-TRE-2fd8122f-34
0.333
MAR-TRE-2fd8122f-85
0.333
MAR-TRE-2fd8122f-36
0.333
MAR-TRE-04c86cea-35
0.333
TAM-UNI-c140e31a-14
0.333
KEI-TRE-d5e2018a-38
0.333
MAR-TRE-2fd8122f-19
0.333
JOR-UNI-2fc98d0b-1
0.333
MAK-UNK-009ebe36-6
0.333
MAR-TRE-3e4e6814-80
0.330
MAR-TRE-d0525fbf-77
0.330
MAK-UNK-009ebe36-1
0.330
MAR-TRE-2fd8122f-17
0.330