Molecular Properties | |
SMILES: | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 |
MW: | 290.08 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 5 |
Rotatable Bonds: | 1 |
TPSA: | 110.38 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8775451204 |
MolPort: | MolPort-001-740-232 |
catechol
Filter57_polyphenol1
catechol_A(92)
MAR-TRE-ebcc4ad6-2
1.000
AAR-POS-fca48359-15
1.000
KTA-UNK-96ef4e68-1
1.000
MAR-TRE-fffca54f-4
0.449
KTA-UNK-96ef4e68-2
0.390
AAR-POS-fca48359-16
0.390
MAR-TRE-fffca54f-5
0.375
TIM-UNK-489d6f60-1
0.375
ZHA-UNK-d0478d18-1
0.301
PAF-PIO-d312ccf6-4
0.280
KTA-UNK-96ef4e68-3
0.266
ALE-EST-30179844-1
0.220
TIM-UNK-d2baf6b8-1
0.212
MAR-TRE-fffca54f-55
0.212
KTA-UNK-ec872bc6-4
0.211
FAB-ASS-ec2fd593-1
0.208
FAB-ASS-ec2fd593-2
0.200
NIM-UNI-43fe0159-3
0.192
MAR-TRE-ebcc4ad6-21
0.189
TIM-UNK-e07ecbff-1
0.183
MAR-TRE-fffca54f-19
0.181
MAR-TRE-fffca54f-56
0.175
MAK-UNK-1cb0e944-8
0.174
PAF-PIO-d312ccf6-2
0.174
AAR-POS-fca48359-23
0.174
BRU-UNI-248b30bc-27
0.173
MAK-UNK-2084232d-9
0.172
MAK-UNK-198e6d85-15
0.172
DAV-CRI-de95a6f4-2
0.172
SAL-UNI-60119594-9
0.171
NEH-REV-107bcf72-4
0.170
KEI-TRE-bda2794f-1
0.169
ZER-UNK-d4c6e3e9-2
0.169
RED-RED-10c9212c-18
0.169
MAR-TRE-8a25d817-98
0.167
BRU-UNI-418e22dc-11
0.167
JUA-UNI-b93289a4-1
0.167
JUA-UNI-a9dfaed1-1
0.165
MAK-UNK-c7aa8293-17
0.165
MAR-TRE-d3c2bf0e-7
0.165
MAR-TRE-fffca54f-79
0.164
MAR-TRE-e86a56b5-94
0.163
NIM-UNI-43fe0159-11
0.163
MAK-UNK-2084232d-20
0.161
MAK-UNK-198e6d85-2
0.161
MAR-TRE-fffca54f-74
0.161
MAR-UCB-195bc32d-43
0.160
MAK-UNK-198e6d85-12
0.159
MAK-UNK-2084232d-24
0.159
MAR-TRE-87acfbcc-93
0.159
AMI-CSI-2339ae1c-3
0.159
NEH-REV-107bcf72-5
0.159
MAT-POS-fa06b69f-4
0.158
TAT-ENA-80bfd3e5-32
0.158
MAK-UNK-c7aa8293-10
0.157
MAK-UNK-198e6d85-3
0.157
TAT-ENA-80bfd3e5-22
0.156
MAR-TRE-1c920f6f-29
0.156
MAK-UNK-198e6d85-7
0.156
MAK-UNK-2084232d-25
0.156
MAK-UNK-60abb798-1
0.156
MAK-UNK-198e6d85-11
0.156
MAK-UNK-198e6d85-16
0.156
MAK-UNK-2084232d-8
0.156
MAK-UNK-2084232d-5
0.156
MAK-UNK-2084232d-21
0.156
MAK-UNK-198e6d85-14
0.156
MAK-UNK-2084232d-22
0.156
MAR-TRE-e86a56b5-35
0.156
MAR-TRE-fffca54f-71
0.155
BRU-UNI-248b30bc-28
0.154
MAR-TRE-d3c2bf0e-3
0.154
MAR-TRE-6a44bbf2-14
0.154
CLI-UNI-032f7715-3
0.154
MAR-TRE-14ce9fd6-32
0.154
MAK-UNK-2084232d-1
0.154
MAR-TRE-e86a56b5-1
0.154
NAU-LAT-64bf4c5d-4
0.153
NIM-UNI-43fe0159-7
0.153
VIT-UNK-026187e6-5
0.153
MAR-TRE-e86a56b5-20
0.153
MAR-TRE-fffca54f-61
0.153
JOH-MR_-42fa5481-9
0.152
SAD-SAT-7d5528d9-14
0.152
MAR-LAB-efb042c5-3
0.152
MAR-TRE-6a44bbf2-75
0.151
MAK-UNK-2084232d-17
0.151
MAK-UNK-198e6d85-9
0.151
MAK-UNK-2084232d-15
0.151
MAK-UNK-60abb798-4
0.151
MAK-UNK-198e6d85-1
0.151
MAK-UNK-2084232d-12
0.151
MAK-UNK-2084232d-13
0.151
MAK-UNK-2084232d-16
0.151
VIC-UNK-b812fd5a-3
0.150
AAR-UNI-c25c2f1e-42
0.150
WAR-XCH-b72a1bbc-13
0.150
MAR-TRE-8190bb11-97
0.149
MAK-UNK-60abb798-8
0.149
MAK-UNK-2084232d-6
0.149