Molecular Properties | |
SMILES: | O=C1CCCN(S(=O)(=O)c2cccs2)CC1 |
MW: | 259.03 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 54.45 |
cLogP: | 1.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-07-07 |
Ketones
Ketone
Hetero_hetero
BEN-DND-03ad4429-5
0.761
BEN-DND-03ad4429-2
0.475
MAK-UNK-6435e6c2-1
0.474
BEN-DND-76ad4ac9-1
0.459
BEN-DND-76ad4ac9-13
0.455
BEN-DND-03406596-5
0.455
AAR-POS-d2a4d1df-22
0.443
BEN-DND-03ad4429-7
0.443
LON-WEI-8f408cad-3
0.443
MAR-TRE-6a44bbf2-52
0.443
MAK-UNK-10dfa458-4
0.443
MAK-UNK-10dfa458-26
0.435
SAD-SAT-f2e2579e-8
0.392
BEN-DND-03ad4429-8
0.370
JAR-KUA-8c13982c-2
0.359
MAR-TRE-04c86cea-49
0.346
BEN-DND-03ad4429-1
0.339
MAK-UNK-009ebe36-9
0.326
MAK-UNK-69bf97dd-10
0.326
MAK-UNK-3f402c2b-1
0.315
MAR-TRE-4b834d9a-65
0.282
MAK-UNK-987948f6-15
0.282
DEM-REL-172c3d60-1
0.269
YUN-WES-58b0dbae-2
0.268
YUN-WES-64c64eb2-1
0.268
DAV-SYG-f22c749d-11
0.265
DAV-SYG-f22c749d-12
0.263
SAD-SAT-2fd372d1-5
0.254
JAG-SYN-9c2cd0bd-10
0.247
JAR-KUA-41bd5a3d-10
0.244
DAV-UNK-7bdfd6f8-1
0.240
WAR-XCH-b72a1bbc-32
0.239
MAK-UNK-902cc841-9
0.239
WAR-XCH-b6889685-22
0.237
SAD-SAT-2fd372d1-1
0.236
WAR-XCH-b6889685-3
0.232
CLI-UNI-032f7715-4
0.231
NAU-LAT-64f4b287-1
0.229
WAR-XCH-b6889685-46
0.225
GIA-UNK-5ec6c2b8-4
0.224
MAK-UNK-902cc841-7
0.222
JAR-KUA-8c13982c-19
0.222
SAD-SAT-1f400d17-8
0.221
SAD-SAT-2fd372d1-6
0.219
WAR-XCH-b6889685-33
0.218
DAN-RED-da448e80-19
0.215
BEN-DND-03406596-9
0.212
WAR-XCH-b6889685-64
0.212
BEN-DND-76ad4ac9-11
0.212
MAT-POS-b5746674-46
0.212
WAR-XCH-b6889685-42
0.212
SAD-SAT-bc31ec01-9
0.211
KUS-THE-322b9b63-2
0.208
SAD-SAT-f2e2579e-9
0.207
MAK-UNK-b1d4dcd7-8
0.207
MAK-UNK-6435e6c2-10
0.206
MAK-UNK-6435e6c2-11
0.206
MAK-UNK-4c6b313a-1
0.206
AAR-POS-0daf6b7e-15
0.205
NIM-UNI-310206f0-69
0.205
MAK-UNK-6435e6c2-2
0.203
NIM-UNI-05f93fcc-1
0.203
MAR-TRE-fd17a9b8-16
0.203
AHN-SAT-de2502ba-2
0.203
MAR-TRE-6a44bbf2-30
0.203
NIM-UNI-05f93fcc-13
0.202
MAR-TRE-2fd8122f-31
0.202
WAR-XCH-e55cba98-8
0.202
SAD-SAT-2ceae68f-7
0.202
MAK-UNK-6435e6c2-6
0.200
BEN-DND-76ad4ac9-12
0.200
BEN-DND-03406596-2
0.200
NIM-UNI-05f93fcc-5
0.200
MAR-TRE-fd17a9b8-15
0.200
WAR-XCH-e55cba98-4
0.198
BEN-DND-76ad4ac9-14
0.198
BEN-DND-03406596-3
0.198
WAR-XCH-b72a1bbc-20
0.197
DAN-RED-da448e80-18
0.196
WAR-XCH-b72a1bbc-31
0.196
MAK-UNK-902cc841-12
0.196
NIM-UNI-05f93fcc-15
0.195
NIM-UNI-05f93fcc-10
0.195
MAK-UNK-7c9d1431-30
0.195
WAR-XCH-b72a1bbc-36
0.195
WAR-XCH-b6889685-19
0.195
MAR-TRE-6a44bbf2-45
0.195
WAR-XCH-b72a1bbc-19
0.195
DRR-IMP-dff87f5e-4
0.194
MAK-UNK-902cc841-10
0.194
AHN-SAT-b1e6fbb2-1
0.194
MAK-UNK-009ebe36-5
0.194
PEI-IMP-668afc53-1
0.193
NIM-UNI-05f93fcc-2
0.193
GIA-UNK-995df016-12
0.192
SAD-SAT-1f400d17-2
0.192
JAG-SYN-9c2cd0bd-11
0.192
LON-WEI-8f408cad-5
0.192
MAK-UNK-10dfa458-2
0.192
AAR-POS-0daf6b7e-17
0.192