Molecular Properties | |
SMILES: | C#CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 278.07 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 57.69 |
cLogP: | 0.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
activated_acetylene
triple bond
Filter43_michael_acceptor_sp1
Hetero_hetero
alkynyl michael acceptor2
triple_bond
MAK-UNK-7c9d1431-9
PEI-IMP-3d837503-2
0.596
MAR-TRE-6a44bbf2-21
0.585
MAK-UNK-7c9d1431-9
0.585
JAG-SYN-9c2cd0bd-2
0.526
GIA-UNK-5ec6c2b8-4
0.509
PEI-IMP-3d837503-3
0.491
MAK-UNK-10dfa458-29
0.459
PEI-IMP-3d837503-5
0.458
GIA-UNK-eaadd1d4-3
0.438
MAK-UNK-10dfa458-46
0.433
PEI-IMP-3d837503-1
0.424
BEN-DND-7e92b6ca-7
0.419
MAT-POS-590ac91e-58
0.416
GIA-UNK-eaadd1d4-2
0.413
GIA-UNK-595fac82-4
0.413
MAT-POS-590ac91e-56
0.410
ANT-OPE-7824651a-2
0.406
SCO-CSI-071a6f1c-1
0.405
MAT-POS-590ac91e-57
0.392
MAK-UNK-10dfa458-27
0.381
MAK-UNK-10dfa458-26
0.381
SIM-SYN-a98e6a07-1
0.378
MAK-UNK-6435e6c2-5
0.377
JAR-KUA-41bd5a3d-4
0.377
DAN-MCD-5c762fbe-1
0.375
DRR-IMP-dff87f5e-3
0.371
AAR-POS-d2a4d1df-44
0.371
BEN-DND-03ad4429-4
0.370
DRR-IMP-dff87f5e-9
0.369
MAR-TRE-6a44bbf2-58
0.365
MAR-LAB-efb042c5-5
0.365
KAY-MCD-d0fe5261-1
0.365
AAR-POS-d2a4d1df-27
0.365
MAR-TRE-6a44bbf2-68
0.365
DRR-IMP-dff87f5e-1
0.365
PEI-IMP-ca0b2813-2
0.365
MAK-UNK-10dfa458-30
0.365
DRR-IMP-dff87f5e-7
0.365
JAR-IMP-ed466bb3-4
0.361
JAG-SYN-9c2cd0bd-4
0.359
MAR-TRE-6a44bbf2-78
0.359
MAK-UNK-7c9d1431-13
0.359
SAD-SAT-b55127ae-5
0.359
MAK-UNK-4c6b313a-1
0.356
MAK-UNK-6435e6c2-11
0.356
MAK-UNK-6435e6c2-10
0.356
SAD-SAT-bc31ec01-9
0.355
BEN-DND-03406596-10
0.354
DAN-MCD-50ec7d1f-1
0.354
LON-WEI-8f408cad-4
0.354
BEN-DND-03ad4429-3
0.354
AAR-POS-d2a4d1df-23
0.354
MAR-TRE-6a44bbf2-18
0.354
MAK-UNK-10dfa458-5
0.354
PEI-IMP-ca0b2813-1
0.348
MAK-UNK-7c9d1431-6
0.348
MAK-UNK-7c9d1431-17
0.348
MAK-UNK-c74072e5-8
0.348
DRR-IMP-dff87f5e-6
0.348
BEN-DND-03406596-8
0.348
CLI-UNI-032f7715-4
0.345
SAD-SAT-3a925b8b-2
0.344
MAR-TRE-6a44bbf2-32
0.343
ABB-MCD-f8003a30-1
0.343
DRR-IMP-dff87f5e-8
0.343
DRR-IMP-dff87f5e-2
0.338
MAK-UNK-7c9d1431-3
0.338
BEN-DND-76ad4ac9-14
0.338
BEN-DND-03406596-3
0.338
SCO-CSI-e56d7cb6-1
0.333
MAT-POS-b5746674-55
0.333
MAK-UNK-7c9d1431-22
0.333
MAR-TRE-6a44bbf2-65
0.329
KEN-MCD-6084b33e-1
0.329
MAK-UNK-7c9d1431-11
0.329
TAT-ENA-80bfd3e5-43
0.329
MAK-UNK-10dfa458-18
0.328
ALE-MCD-a1893bfb-1
0.328
HUB-UNK-9845d277-12
0.327
BAP-BUY-55f8bcae-1
0.324
MAT-POS-ee51dedd-2
0.323
MAR-TRE-04c86cea-46
0.321
SAD-SAT-f2e2579e-10
0.321
MAR-TRE-fd17a9b8-74
0.320
PEI-IMP-ca0b2813-3
0.319
IND-SYN-6c8299e8-2
0.319
SAD-SAT-2fd372d1-9
0.319
TAT-ENA-80bfd3e5-25
0.319
MAK-UNK-7c9d1431-4
0.319
PEI-IMP-e4a008a2-1
0.319
JAY-UNK-11f5bdbd-1
0.318
MAT-POS-b5746674-56
0.318
MAK-UNK-7c9d1431-12
0.318
SAD-SAT-2fd372d1-8
0.317
IND-SYN-6c8299e8-7
0.316
SAD-SAT-f2e2579e-5
0.316
DRR-IMP-dff87f5e-4
0.312
HUB-UNK-9845d277-10
0.312
ANT-OPE-7824651a-1
0.311
MAK-UNK-7c9d1431-19
0.310