Molecular Properties | |
SMILES: | O=S(=O)(c1cc2c(cc1OCc1ccccc1)OCO2)N1CCOCC1 |
MW: | 377.09 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 74.3 |
cLogP: | 2.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-05-18 |
Filter58_polyphenol2
Hetero_hetero
ROD-LAS-d5538ff9-8
ROD-UFR-d767f115-1
0.581
ROD-UFR-86d8d6a3-1
0.551
ROD-UFR-74bef589-1
0.458
ROD-UFR-87309d29-1
0.363
ROD-UFR-9b69e111-1
0.356
ROD-LAS-d5538ff9-8
0.352
MAR-TRE-6a44bbf2-42
0.337
MAR-TRE-2fd8122f-35
0.314
ROD-UFR-d5063330-1
0.310
AHN-SAT-de2502ba-12
0.307
SAD-SAT-65574d3f-8
0.307
MAR-TRE-6a44bbf2-20
0.307
ROD-UFR-7c6582a7-1
0.295
GIA-UNK-3f36037a-6
0.282
ROD-UFR-0ea09143-1
0.277
MAR-UNI-c84db004-18
0.277
MAR-TRE-799db12b-64
0.276
AHN-SAT-de2502ba-13
0.275
MAR-TRE-6a44bbf2-83
0.275
SAD-SAT-f0a2747f-7
0.270
MAT-POS-162a9720-7
0.269
SAD-SAT-135344c3-1
0.267
SAD-SAT-f0a2747f-5
0.264
MAK-UNK-69bf97dd-6
0.262
GIA-UNK-eaadd1d4-3
0.258
MAR-UNI-c84db004-20
0.255
MAR-TRE-0fda4e82-37
0.253
MAR-TRE-fd17a9b8-7
0.253
AHN-SAT-de2502ba-9
0.250
AHN-SAT-de2502ba-4
0.250
MAR-TRE-6a44bbf2-100
0.250
NIM-UNI-7f77122c-2
0.248
LON-WEI-4d77710c-10
0.248
LON-WEI-5e7d1b3e-10
0.248
MAR-UNI-c84db004-5
0.248
TAT-ENA-80bfd3e5-27
0.248
SER-UNI-400afb01-5
0.247
MAR-TRE-04c86cea-61
0.245
MAT-POS-ea426761-70
0.245
MAR-TRE-3e4e6814-92
0.245
SCO-CSI-e30c12ee-1
0.243
MAR-TRE-fd17a9b8-62
0.242
JOH-UNI-522b0723-10
0.242
MAR-UNI-c84db004-2
0.240
MAR-UNI-c84db004-7
0.240
SAD-SAT-7d5528d9-9
0.240
MAR-UNI-c84db004-9
0.240
AHN-SAT-de2502ba-16
0.239
KEI-TRE-d5e2018a-52
0.238
DRA-CSI-47e38074-4
0.236
KEI-TRE-d5e2018a-53
0.236
NAU-LAT-f723e322-5
0.235
DAV-UNK-07f953a2-3
0.235
JOH-IMS-1436231f-6
0.235
AAR-POS-0daf6b7e-29
0.235
MAR-TRE-6a44bbf2-34
0.234
MAT-POS-5369c344-3
0.233
DAR-DIA-0587064e-19
0.233
MAT-POS-b5746674-53
0.233
GIA-UNK-3f36037a-2
0.233
MAR-TRE-799db12b-34
0.232
ALP-POS-bad7201a-6
0.232
ARI-TAT-5792557e-4
0.232
AAR-POS-0daf6b7e-28
0.232
MAR-TRE-2fd8122f-55
0.231
KEI-TRE-d5e2018a-13
0.231
NAU-LAT-81109c57-5
0.231
PAT-GYR-de8eec61-1
0.230
MAR-TRE-4f781e27-67
0.230
MAR-TRE-6a44bbf2-63
0.229
PAT-GYR-de8eec61-3
0.229
MAR-TRE-b77b7921-56
0.228
MAK-UNK-f983951f-13
0.228
JAR-KUA-672ec752-7
0.228
MAK-UNK-a7992eb3-22
0.227
MAT-POS-b5746674-51
0.226
WIL-LEE-23e8b574-1
0.226
JON-UNI-93996c9d-5
0.226
BEN-DND-76ad4ac9-9
0.226
BEN-DND-03406596-1
0.226
SAD-SAT-7d5528d9-19
0.226
PAT-GYR-de8eec61-7
0.225
MAR-TRE-2fd8122f-31
0.225
JOH-UNI-e19b918c-9
0.224
JOH-ILL-da934517-3
0.223
MAR-TRE-4f781e27-53
0.223
ALP-POS-bad7201a-8
0.221
JAR-KUA-8c13982c-4
0.221
MAR-TRE-2fd8122f-94
0.221
PAT-GYR-de8eec61-4
0.221
MAR-TRE-6a44bbf2-45
0.221
MAK-UNK-7c9d1431-30
0.221
SAD-SAT-2ceae68f-9
0.221
CHR-UNL-7577488f-1
0.219
PEI-IMP-3d837503-5
0.218
DAR-DIA-0587064e-5
0.218
MAR-TRE-8190bb11-100
0.218
NAU-LAT-445f63e5-7
0.216
ALP-POS-6d04362c-5
0.216
JOH-UNI-e19b918c-8
0.216