Molecular Properties | |
SMILES: | CC(=O)C(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 302.04 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 74.76 |
cLogP: | 0.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Ketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Hetero_hetero
Oxalyl
MAK-UNK-6435e6c2-10
0.739
MAK-UNK-6435e6c2-11
0.739
MAK-UNK-4c6b313a-1
0.739
MAK-UNK-10dfa458-18
0.667
MAT-POS-ee51dedd-2
0.623
MAK-UNK-10dfa458-46
0.623
DAN-MCD-5c762fbe-1
0.544
MAK-UNK-7264f48c-4
0.529
MAK-UNK-7264f48c-1
0.500
MAK-UNK-7264f48c-2
0.493
MAK-UNK-7264f48c-5
0.486
MAK-UNK-7264f48c-6
0.459
MAK-UNK-7264f48c-3
0.453
MAK-UNK-6435e6c2-5
0.377
ALE-MCD-a1893bfb-1
0.373
MAK-UNK-6435e6c2-1
0.367
WAR-XCH-e55cba98-8
0.364
ANT-OPE-7824651a-2
0.364
SAD-SAT-b55127ae-5
0.359
MAR-TRE-6a44bbf2-78
0.359
MAK-UNK-7c9d1431-13
0.359
MAK-UNK-902cc841-8
0.358
MAT-POS-b5746674-55
0.355
MAK-UNK-7c9d1431-9
0.355
MAR-TRE-6a44bbf2-21
0.355
WAR-XCH-e55cba98-4
0.354
SAD-SAT-2fd372d1-4
0.344
AAR-POS-d2a4d1df-27
0.344
MAR-TRE-6a44bbf2-68
0.344
MAR-LAB-efb042c5-5
0.344
MAT-POS-b5746674-56
0.338
MAK-UNK-10dfa458-5
0.333
ANT-OPE-7824651a-1
0.329
TAT-ENA-80bfd3e5-43
0.329
KEN-MCD-6084b33e-1
0.329
MAR-TRE-6a44bbf2-65
0.329
MAK-UNK-7c9d1431-11
0.329
MAK-UNK-7c9d1431-17
0.328
MAR-TRE-6a44bbf2-26
0.328
MAK-UNK-7c9d1431-8
0.328
AAR-POS-d2a4d1df-44
0.328
MAK-UNK-23561bf6-1
0.328
MAK-UNK-212f693e-1
0.328
MAK-UNK-6ca90168-19
0.328
MAR-TRE-6a44bbf2-32
0.324
ABB-MCD-f8003a30-1
0.324
PEI-IMP-ca0b2813-2
0.323
MAR-TRE-6a44bbf2-58
0.323
MAK-UNK-10dfa458-4
0.323
SAD-SAT-3a925b8b-2
0.323
KAY-MCD-d0fe5261-1
0.323
MAK-UNK-6435e6c2-6
0.323
SAD-SAT-2fd372d1-9
0.319
AHN-SAT-02ef6d10-5
0.319
MAK-UNK-987948f6-5
0.315
MAK-UNK-7c9d1431-22
0.314
MAR-TRE-6a44bbf2-18
0.313
AAR-POS-d2a4d1df-23
0.313
DAN-MCD-50ec7d1f-1
0.313
LON-WEI-8f408cad-4
0.313
MAK-UNK-902cc841-10
0.313
MAK-UNK-6435e6c2-3
0.311
MAK-UNK-212f693e-5
0.311
MAK-UNK-7c9d1431-19
0.310
MAK-UNK-c74072e5-8
0.309
PEI-IMP-ca0b2813-1
0.309
MAK-UNK-7c9d1431-6
0.309
MAK-UNK-10dfa458-29
0.309
ALE-MCD-4ac17b19-1
0.308
SAD-SAT-bc31ec01-5
0.308
MAK-UNK-212f693e-16
0.306
SCO-CSI-071a6f1c-1
0.306
MAK-UNK-7c9d1431-10
0.304
MAR-TRE-6a44bbf2-52
0.303
AAR-POS-d2a4d1df-22
0.303
LON-WEI-8f408cad-3
0.303
MAK-UNK-212f693e-14
0.302
PEI-IMP-ca0b2813-3
0.301
MAK-UNK-7c9d1431-4
0.301
MAK-UNK-7c9d1431-3
0.301
TAT-ENA-80bfd3e5-25
0.301
MAK-UNK-902cc841-7
0.301
JAR-IMP-ed466bb3-4
0.299
MAK-UNK-10dfa458-26
0.299
JOH-UNI-23d9e1b1-1
0.294
MAK-UNK-bdda130a-4
0.293
SAD-SAT-3a925b8b-10
0.292
MAK-UNK-212f693e-20
0.292
MAK-UNK-10dfa458-6
0.288
MAR-TRE-fd17a9b8-74
0.286
ZAC-MCD-2bc172dc-1
0.286
JAN-GHE-4287bd1a-1
0.286
MAK-UNK-212f693e-6
0.286
SAD-SAT-bc31ec01-4
0.286
SEL-UNI-c5c112eb-2
0.286
MAK-UNK-bdda130a-1
0.284
IND-SYN-6c8299e8-2
0.284
SAD-SAT-3a925b8b-9
0.284
JAG-SYN-9c2cd0bd-1
0.284
AAR-POS-0daf6b7e-15
0.284