Molecular Properties | |
SMILES: | O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 |
MW: | 272.07 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 1 |
TPSA: | 86.99 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
flavanoid
Filter57_polyphenol1
Ketone
ZHA-UNK-6154d07a-19
ZHA-UNK-6154d07a-7
ZHA-UNK-6154d07a-2
ZHA-UNK-6154d07a-8
ZHA-UNK-6154d07a-18
ZHA-UNK-6154d07a-14
ZHA-UNK-6154d07a-12
ZHA-UNK-6154d07a-11
ZHA-UNK-6154d07a-6
ZHA-UNK-6154d07a-5
ZHA-UNK-6154d07a-4
ZHA-UNK-6154d07a-1
ZHA-UNK-6154d07a-16
ZHA-UNK-6154d07a-9
ZHA-UNK-6154d07a-3
ZHA-UNK-6154d07a-17
ZHA-UNK-6154d07a-15
ZHA-UNK-6154d07a-13
ZHA-UNK-6154d07a-10
MAR-TRE-fffca54f-5
0.684
PAF-PIO-d312ccf6-4
0.619
ALE-EST-30179844-1
0.540
MAR-TRE-fffca54f-19
0.418
MAR-TRE-ebcc4ad6-21
0.392
MAR-TRE-fffca54f-4
0.386
AAR-POS-fca48359-23
0.311
PAF-PIO-d312ccf6-2
0.311
KTA-UNK-96ef4e68-1
0.301
AAR-POS-fca48359-15
0.301
MAR-TRE-ebcc4ad6-2
0.301
MAR-TRE-fffca54f-6
0.301
NIM-UNI-43fe0159-3
0.286
KTA-UNK-ec872bc6-4
0.271
KTA-UNK-96ef4e68-2
0.253
AAR-POS-fca48359-16
0.253
TIM-UNK-489d6f60-1
0.247
MAR-UCB-195bc32d-43
0.235
MAR-TRE-fffca54f-56
0.230
KTA-UNK-ec872bc6-6
0.216
MAR-TRE-fffca54f-64
0.216
VIR-GIT-7b3d3065-1
0.213
PAF-PIO-d312ccf6-3
0.213
MAR-TRE-fffca54f-74
0.210
MAR-TRE-e86a56b5-37
0.208
BRU-UNI-248b30bc-27
0.200
BRU-UNI-248b30bc-49
0.198
MAR-UNI-c84db004-19
0.198
MAN-UNK-10ff5583-1
0.197
MAR-TRE-fffca54f-12
0.197
MAR-TRE-e86a56b5-6
0.195
MAR-TRE-e86a56b5-21
0.195
MAR-TRE-ebcc4ad6-17
0.195
MAR-TRE-e86a56b5-15
0.195
VIC-UNK-b812fd5a-3
0.191
MAR-UCB-195bc32d-14
0.191
HAO-BIO-c9aafde3-1
0.191
MAR-TRE-e86a56b5-65
0.188
MAR-TRE-ebcc4ad6-36
0.188
MAR-TRE-e86a56b5-1
0.186
MAR-UCB-195bc32d-57
0.184
KTA-UNK-96ef4e68-3
0.184
TIM-UNK-5b18bd9d-1
0.184
NIM-UNI-43fe0159-11
0.183
MAR-TRE-e86a56b5-19
0.183
MAR-TRE-e86a56b5-5
0.181
MAR-TRE-e86a56b5-36
0.181
MAR-TRE-e86a56b5-45
0.181
MAR-TRE-e86a56b5-56
0.181
MAR-TRE-e86a56b5-62
0.181
MAR-UNI-c84db004-4
0.179
MAT-POS-ea426761-16
0.179
GIA-UNK-a33ae3bd-1
0.179
MAR-TRE-ebcc4ad6-35
0.177
MAR-TRE-ebcc4ad6-30
0.177
MAR-TRE-85681e92-39
0.176
MAR-TRE-fffca54f-81
0.176
VIC-UNK-b812fd5a-1
0.175
MAR-UCB-195bc32d-34
0.175
TIM-UNK-d2baf6b8-1
0.175
TIM-UNK-e07ecbff-1
0.175
MAR-TRE-fffca54f-93
0.175
MAR-TRE-fffca54f-55
0.175
AMY-UNI-7a9b5e6e-1
0.175
MAR-TRE-ebcc4ad6-25
0.174
MAR-TRE-e86a56b5-42
0.173
MAR-TRE-e86a56b5-98
0.173
MAR-TRE-ebcc4ad6-8
0.173
MAR-TRE-e86a56b5-57
0.173
CLI-TLC-a809b4cd-1
0.173
MAR-TRE-6a44bbf2-14
0.172
MAR-TRE-e86a56b5-63
0.171
MAR-TRE-fffca54f-96
0.171
MAR-TRE-e86a56b5-11
0.171
LYN-UNI-c2dd631d-8
0.171
VIT-UNK-525497ca-4
0.171
MAR-TRE-e86a56b5-55
0.171
MAR-TRE-e86a56b5-73
0.171
MAK-UNK-c7aa8293-17
0.170
DAV-CRI-25b90884-1
0.170
JUA-UNI-a9dfaed1-1
0.170
MAR-TRE-e86a56b5-58
0.169
SAD-SAT-581007d4-5
0.169
KTA-UNK-ec872bc6-3
0.169
DUA-UNK-53ce8530-1
0.169
WIL-UNI-5578df48-20
0.169
VIT-UNK-525497ca-6
0.168
FRA-DIA-0fa076fe-3
0.168
NIM-UNI-43fe0159-5
0.167
IND-SYN-6c8299e8-12
0.167
MAR-UCB-195bc32d-39
0.167
MAK-UNK-1cb0e944-8
0.167
NIM-UNI-43fe0159-1
0.167
MAR-UNI-c84db004-3
0.167
MAR-TRE-e86a56b5-69
0.167
MAK-UNK-01147c51-6
0.165
MAK-UNK-c7aa8293-16
0.165
REN-UFA-aaaed2d6-2
0.165
NIM-UNI-43fe0159-10
0.165
MAK-UNK-2084232d-24
0.165