Molecular Properties | |
SMILES: | CCOC(=O)/C=C/N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 324.11 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 66.92 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 29.9824057636429 |
Order Status | |
Shipped: | 2021-07-28 |
Activated double bonds (2)
aliphatic ester, not lactones
Ester
Hetero_hetero
MAK-UNK-7c9d1431-9
PEI-IMP-3d837503-3
0.459
PEI-IMP-3d837503-2
0.453
MAR-TRE-6a44bbf2-21
0.446
MAK-UNK-7c9d1431-9
0.446
PEI-IMP-3d837503-4
0.424
GIA-UNK-5ec6c2b8-4
0.406
JAR-KUA-41bd5a3d-4
0.400
GIA-UNK-595fac82-4
0.394
PEI-IMP-3d837503-5
0.391
GIA-UNK-eaadd1d4-2
0.356
SIM-SYN-a98e6a07-1
0.352
SCO-CSI-071a6f1c-1
0.344
MAT-POS-b5746674-55
0.343
GIA-UNK-eaadd1d4-3
0.342
MAR-TRE-fd17a9b8-56
0.333
MAR-LAB-efb042c5-5
0.333
MAR-TRE-6a44bbf2-68
0.333
ANT-OPE-7824651a-2
0.333
AAR-POS-d2a4d1df-27
0.333
MAK-UNK-7c9d1431-22
0.325
BEN-DND-7e92b6ca-7
0.322
JAR-KUA-41bd5a3d-19
0.319
MAT-POS-b5746674-56
0.311
MAT-POS-b5746674-57
0.309
MAT-POS-590ac91e-58
0.308
DAN-MCD-5c762fbe-1
0.307
MAK-UNK-6435e6c2-5
0.306
MAT-POS-590ac91e-56
0.304
MAT-POS-590ac91e-57
0.304
MAK-UNK-7c9d1431-17
0.303
SIM-SYN-3099a863-2
0.302
MAR-TRE-fd17a9b8-74
0.298
SAD-SAT-2fd372d1-9
0.296
HIR-FOR-a67ea703-1
0.294
BEN-DND-03ad4429-4
0.294
MAR-TRE-6a44bbf2-78
0.293
SAD-SAT-b55127ae-5
0.293
MAK-UNK-7c9d1431-13
0.293
SCO-CSI-e56d7cb6-1
0.288
SAD-SAT-bc31ec01-9
0.288
MAK-UNK-6435e6c2-10
0.286
MAK-UNK-7c9d1431-8
0.286
MAK-UNK-4c6b313a-1
0.286
MAK-UNK-6435e6c2-11
0.286
MAR-TRE-6a44bbf2-26
0.286
MAR-TRE-04c86cea-46
0.284
BAP-BUY-55f8bcae-1
0.284
DRR-IMP-dff87f5e-3
0.284
AAR-POS-d2a4d1df-44
0.284
MAR-LAB-ff9967db-22
0.281
JAR-IMP-ed466bb3-4
0.281
MAR-TRE-3e4e6814-23
0.281
PEI-IMP-ca0b2813-3
0.280
MAR-TRE-6a44bbf2-58
0.280
KAY-MCD-d0fe5261-1
0.280
DRR-IMP-dff87f5e-7
0.280
DRR-IMP-dff87f5e-1
0.280
PEI-IMP-ca0b2813-2
0.280
PEI-IMP-e4a008a2-1
0.278
SIM-SYN-3099a863-1
0.278
DRA-CSI-3ab97369-1
0.276
CLI-UNI-032f7715-4
0.275
SIM-SYN-3099a863-3
0.275
WIL-LEE-23e8b574-1
0.274
ANT-OPE-7824651a-1
0.274
MAR-TRE-6a44bbf2-18
0.273
ALE-MCD-4ac17b19-1
0.273
DAN-MCD-50ec7d1f-1
0.273
MAK-UNK-10dfa458-5
0.273
LON-WEI-8f408cad-4
0.273
AAR-POS-d2a4d1df-23
0.273
NAU-LAT-f723e322-6
0.273
BEN-DND-03ad4429-3
0.273
BEN-DND-03406596-10
0.273
MAR-TRE-6a44bbf2-65
0.272
KEN-MCD-6084b33e-1
0.272
MAK-UNK-7c9d1431-11
0.272
TAT-ENA-80bfd3e5-43
0.272
MAT-POS-b5746674-29
0.270
MAK-UNK-7c9d1431-6
0.269
MAK-UNK-c74072e5-8
0.269
DRR-IMP-dff87f5e-6
0.269
DRR-IMP-dff87f5e-9
0.269
PEI-IMP-ca0b2813-1
0.269
SAD-SAT-1f400d17-2
0.267
SCO-CSI-e30c12ee-1
0.267
DRR-IMP-dff87f5e-8
0.266
DRR-IMP-dff87f5e-2
0.265
MAK-UNK-7c9d1431-3
0.265
MAK-UNK-7c9d1431-4
0.265
TAT-ENA-80bfd3e5-25
0.265
SAD-SAT-f2e2579e-5
0.264
ALE-MCD-a1893bfb-1
0.264
MAK-UNK-009ebe36-3
0.264
SAD-SAT-3a925b8b-2
0.263
MAR-TRE-6a44bbf2-89
0.263
MAR-TRE-a9136c7b-64
0.261
MAR-TRE-fd17a9b8-64
0.261
DRA-CSI-3ab97369-7
0.261
SAD-SAT-9a6c5cf3-2
0.261