Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 |
MW: | 340.12 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | -0.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6643632600 |
MolPort: | MolPort-009-721-607 |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Hetero_hetero
Oxalyl
MAK-UNK-ca11b4f7-3
0.438
MAR-TRE-d0525fbf-97
0.416
MAR-TRE-d0525fbf-90
0.412
MAR-TRE-7f7bb9f0-89
0.407
MAR-TRE-4b834d9a-73
0.402
MAK-UNK-009ebe36-3
0.402
MAR-TRE-2fd8122f-19
0.398
SAD-SAT-135344c3-5
0.398
MAR-TRE-9c797165-26
0.393
SAD-SAT-135344c3-4
0.386
MAR-TRE-2fd8122f-29
0.382
SAD-SAT-135344c3-2
0.379
MAR-TRE-d0525fbf-54
0.379
DAR-DIA-842b4336-2
0.378
MAR-TRE-3e4e6814-54
0.378
MAR-TRE-04c86cea-76
0.378
MAR-TRE-2fd8122f-13
0.372
MAR-TRE-3e4e6814-59
0.372
SAD-SAT-2fd372d1-7
0.372
MED-UNK-e6e8ef8a-3
0.372
SAD-SAT-135344c3-3
0.371
MAK-UNK-009ebe36-2
0.371
KEI-TRE-d5e2018a-73
0.370
MAR-TRE-3e4e6814-67
0.369
ALE-MCD-4ac17b19-1
0.368
JOH-IMS-62aeb97d-5
0.368
MAR-TRE-f6f5f473-23
0.367
MAR-TRE-04c86cea-35
0.367
KEI-TRE-d5e2018a-38
0.366
MAK-UNK-009ebe36-7
0.366
MAR-TRE-04c86cea-46
0.364
AAR-POS-d2a4d1df-13
0.364
ALE-HEI-f28a35b5-9
0.364
FRA-FAC-9ed5a63a-1
0.364
JOH-IMS-62aeb97d-3
0.364
MAR-TRE-b77b7921-88
0.363
MAR-TRE-04c86cea-49
0.363
ASH-UNK-40b46b30-13
0.360
ZAC-WAB-3baddbb3-1
0.360
ZAC-WAB-d55a3c2e-2
0.360
MED-UNK-e6e8ef8a-1
0.359
SAD-SAT-135344c3-1
0.359
MAR-TRE-67513f76-81
0.358
ANT-DIA-3c79be55-4
0.358
MAK-UNK-009ebe36-9
0.358
MAR-TRE-74c6519b-91
0.357
ANT-DIA-3c79be55-5
0.357
TRY-UNI-bbd40bb4-4
0.356
ALE-HEI-f28a35b5-15
0.356
MAR-TRE-04c86cea-17
0.356
ALE-HEI-f28a35b5-16
0.355
MAK-UNK-009ebe36-4
0.355
MAK-UNK-009ebe36-5
0.355
FRA-FAC-9ed5a63a-2
0.354
MED-UNK-e6e8ef8a-2
0.354
LON-WEI-120e5cf5-11
0.354
ADA-UNI-f8e79267-3
0.352
BEN-DND-362d364a-10
0.351
ALE-HEI-f28a35b5-8
0.351
MAR-TRE-7f7bb9f0-49
0.350
MAR-TRE-74c6519b-66
0.350
MAR-TRE-b77b7921-74
0.349
MAR-TRE-2fd8122f-94
0.348
MAR-TRE-b77b7921-34
0.348
MAK-UNK-ca11b4f7-1
0.348
MAR-TRE-4b834d9a-63
0.348
KEI-TRE-d5e2018a-53
0.347
MAK-UNK-009ebe36-1
0.347
MAR-TRE-2fd8122f-33
0.347
MAR-TRE-9c797165-47
0.347
JOH-IMS-62aeb97d-1
0.346
MED-UNK-e6e8ef8a-4
0.346
ADA-UNI-f8e79267-6
0.345
MAR-TRE-9c797165-52
0.345
KEI-TRE-d5e2018a-32
0.345
MAR-TRE-3e4e6814-34
0.345
MAR-TRE-7f7bb9f0-97
0.345
KEI-TRE-d5e2018a-22
0.344
KEI-TRE-d5e2018a-13
0.344
KEI-TRE-d5e2018a-79
0.344
MAR-TRE-d0525fbf-14
0.344
MAR-TRE-3e4e6814-56
0.344
MAK-UNK-d1e89583-1
0.342
MAR-TRE-2fd8122f-27
0.342
MED-UNK-e6e8ef8a-6
0.342
FRA-FAC-9ed5a63a-3
0.342
DAR-DIA-842b4336-11
0.342
MED-UNK-e6e8ef8a-5
0.342
MAR-TRE-2fd8122f-78
0.341
FRA-FAC-9ed5a63a-4
0.341
ASH-UNK-40b46b30-3
0.341
NAU-LAT-64f4b287-10
0.341
MAR-TRE-b77b7921-80
0.341
MAR-TRE-b77b7921-97
0.341
PET-SGC-d0156db4-2
0.341
MAR-TRE-7f7bb9f0-68
0.341
MAR-TRE-9c797165-48
0.341
MAR-TRE-3e4e6814-49
0.341
MAR-TRE-b77b7921-71
0.341
KEI-TRE-d5e2018a-52
0.341