Molecular Properties | |
SMILES: | COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1 |
MW: | 354.15 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.99 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-11-23 |
isolated alkene
Filter44_michael_acceptor2
Filter57_polyphenol1
Ketone
Dye 9
vinyl michael acceptor1
phenylethene
poly_sub_atomatic
MAR-TRE-ebcc4ad6-21
0.333
DRR-SHR-2ae5ab8c-5
0.278
VIC-UNK-b812fd5a-3
0.273
DRR-SHR-2ae5ab8c-4
0.264
DRR-SHR-2ae5ab8c-3
0.258
ZHA-UNK-6154d07a-12
0.257
DRR-SHR-2ae5ab8c-2
0.256
DRR-SHR-2ae5ab8c-1
0.247
DAV-IMP-59dd6621-12
0.227
VIC-UNK-b812fd5a-5
0.220
DRR-SHR-2ae5ab8c-10
0.214
MAR-TRE-e86a56b5-2
0.214
MAR-TRE-e86a56b5-58
0.212
DRR-SHR-2ae5ab8c-9
0.212
MAR-TRE-e86a56b5-30
0.212
AAR-POS-fca48359-2
0.209
MAR-TRE-e86a56b5-55
0.209
DRV-DNY-ae159ed1-11
0.209
VIC-UNK-b812fd5a-4
0.208
DAV-IMP-59dd6621-10
0.207
MAR-TRE-e86a56b5-34
0.207
MAR-TRE-e86a56b5-94
0.207
MAR-TRE-85681e92-51
0.205
MAR-TRE-e86a56b5-85
0.203
MAR-TRE-e86a56b5-52
0.202
DRR-SHR-2ae5ab8c-7
0.202
MAR-LAB-efb042c5-3
0.202
MAR-TRE-6a44bbf2-45
0.200
DRV-DNY-ae159ed1-7
0.200
MAR-TRE-e86a56b5-63
0.200
MAK-UNK-7c9d1431-30
0.200
MAR-UCB-195bc32d-33
0.200
MAR-TRE-fffca54f-96
0.200
DRR-SHR-2ae5ab8c-8
0.198
MAR-TRE-e86a56b5-46
0.198
NIM-UNI-ed9fc491-2
0.196
VOL-CHA-d666e5ae-1
0.196
SAD-SAT-5b1897b2-5
0.196
MAR-TRE-e86a56b5-73
0.196
MAR-UCB-195bc32d-43
0.195
DRR-SHR-9a662592-1
0.194
MAR-TRE-e86a56b5-25
0.194
MAR-TRE-e86a56b5-56
0.193
MAR-TRE-e86a56b5-45
0.193
JOH-MR_-42fa5481-3
0.190
MAR-TRE-6a44bbf2-88
0.190
JOH-MR_-42fa5481-10
0.189
MAR-TRE-e86a56b5-47
0.188
VOL-CHA-d666e5ae-2
0.188
MAR-TRE-4f39ef4a-55
0.188
MAR-TRE-ebcc4ad6-25
0.188
MAR-LAB-ff9967db-37
0.186
DRR-SHR-2ae5ab8c-6
0.186
NIM-UNI-ed9fc491-1
0.186
TRY-UNI-9f475305-11
0.186
VOL-CHA-d666e5ae-5
0.185
JON-UNI-bb9dc649-9
0.185
MAR-TRE-ebcc4ad6-8
0.185
MAR-TRE-ebcc4ad6-36
0.185
MAR-TRE-3e4e6814-6
0.184
MED-COV-4280ac29-30
0.184
NIC-BIO-a68395b7-4
0.184
MAR-TRE-d3c2bf0e-8
0.183
SAD-SAT-65574d3f-10
0.183
KEI-TRE-fa9ada3e-1
0.183
KEI-TRE-12d22e85-1
0.183
MAR-TRE-e86a56b5-81
0.182
MAT-POS-916a2c5a-1
0.181
MAR-TRE-4f39ef4a-41
0.181
NIC-BIO-a68395b7-5
0.181
NIC-BIO-a68395b7-3
0.181
MAK-UNK-7c9d1431-19
0.181
MAR-TRE-ebcc4ad6-26
0.181
DAV-CRI-25b90884-3
0.180
JOH-MR_-42fa5481-9
0.179
MAR-TRE-f5c2d31c-55
0.179
JOH-MEM-5e386bbd-1
0.179
MAR-TRE-e86a56b5-62
0.179
MAK-UNK-c7aa8293-1
0.178
DAV-CRI-25b90884-2
0.178
NEH-REV-107bcf72-5
0.178
JOH-MR_-42fa5481-11
0.178
JOH-MR_-42fa5481-12
0.178
PEI-IMP-ca0b2813-3
0.177
MAR-TRE-4f39ef4a-52
0.177
JOH-MEM-5e386bbd-8
0.177
MAR-UCB-195bc32d-44
0.176
MAR-TRE-e86a56b5-83
0.176
MAR-TRE-799db12b-78
0.176
NIM-UNI-13494739-3
0.176
JOH-MR_-42fa5481-13
0.176
MAR-TRE-fffca54f-47
0.176
MAR-TRE-ebcc4ad6-35
0.176
BAR-COM-0f94fc3d-34
0.175
BEN-DND-6de5dfa0-21
0.175
NIC-BIO-a68395b7-2
0.175
VIT-UNK-026187e6-3
0.175
NEH-REV-107bcf72-4
0.175
CHO-MSK-6e55470f-20
0.175
JOH-MR_-42fa5481-4
0.174