Molecular Properties | |
SMILES: | CC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
MW: | 330.11 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 100.9 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2946884080 |
MolPort: | MolPort-039-338-115 |
hydroquinone
isolated alkene
Activated double bonds (2)
Carboxylic acid esters
Quinones, quinone-(di)imines and their thio- and phospho-analogues
N1 Quinones
Filter44_michael_acceptor2
quinones
dihydroxybenzene
Ketone
Ester
vinyl michael acceptor1
quinone
quinone_A(370)
MAR-TRE-ebcc4ad6-30
0.600
BET-COM-8a5969bb-2
0.227
VIC-UNK-b812fd5a-3
0.223
MAR-TRE-ebcc4ad6-21
0.202
MAR-TRE-e86a56b5-52
0.200
VIC-UNK-b812fd5a-4
0.194
EDJ-MED-f073a5ff-1
0.193
MAR-UCB-195bc32d-49
0.192
MAR-TRE-e86a56b5-34
0.190
MAR-TRE-fffca54f-12
0.189
MAN-UNK-10ff5583-1
0.189
DAV-CRI-25b90884-2
0.187
SAL-UNI-60119594-10
0.185
DAV-CRI-3edb475e-1
0.184
MAR-TRE-1c920f6f-98
0.184
MAR-TRE-e86a56b5-32
0.182
MAR-TRE-e86a56b5-98
0.182
MAK-UNK-53da93bf-4
0.180
PAF-PIO-d312ccf6-4
0.180
MAR-TRE-fffca54f-5
0.179
MAR-TRE-e86a56b5-70
0.178
DAV-CRI-25b90884-1
0.178
MAR-TRE-0fda4e82-80
0.176
MAR-TRE-e86a56b5-24
0.176
MAR-TRE-e86a56b5-40
0.173
VIC-UNK-b812fd5a-5
0.173
ZHA-UNK-d0478d18-1
0.173
GER-UNI-9e096ee1-1
0.173
MAR-TRE-85681e92-56
0.172
WIL-LEE-1f71e281-7
0.171
NEH-REV-107bcf72-4
0.170
MAR-TRE-ebcc4ad6-46
0.169
AAR-POS-0daf6b7e-45
0.169
MAR-TRE-e86a56b5-50
0.169
TRY-UNI-9f475305-11
0.169
JON-UIO-82a15e73-1
0.169
SAL-UNI-60119594-6
0.168
NIC-BIO-7d400292-1
0.167
DAV-CRI-14a23e73-1
0.167
AAR-POS-d2a4d1df-16
0.167
MAR-TRE-ebcc4ad6-43
0.167
MAR-TRE-e86a56b5-85
0.167
MAR-TRE-ebcc4ad6-25
0.167
MAK-UNK-c44f4be0-1
0.167
DAV-CRI-3edb475e-3
0.167
RIT-RIT-fdc869b4-1
0.165
MAK-UNK-c749d764-25
0.165
JOK-SYG-a0b0bf84-1
0.165
LON-WEI-4d77710c-3
0.165
LON-WEI-5e7d1b3e-3
0.165
SAN-PRS-3c4a6997-11
0.165
MAR-TRE-e86a56b5-63
0.164
MAR-TRE-e86a56b5-71
0.164
MAR-TRE-fffca54f-96
0.164
MAK-UNK-c749d764-20
0.163
NAU-LAT-42d4957e-1
0.163
NIC-BIO-7d400292-4
0.163
MAK-UNK-c44f4be0-10
0.163
BEN-DND-b89db3f2-4
0.163
NIC-BIO-a68395b7-1
0.163
MAR-TRE-fffca54f-4
0.163
NIC-BIO-a68395b7-5
0.163
MAR-TRE-e86a56b5-58
0.162
MAR-TRE-e86a56b5-88
0.162
MAT-POS-7dfc56d9-1
0.162
EDJ-MED-8698005e-1
0.161
JOH-MSK-a63bdd1d-1
0.161
JAN-GHE-1d98ec1c-10
0.161
WIL-LEE-23e8b574-4
0.160
MAK-UNK-7a704a63-20
0.160
CHR-SOS-7098f804-4
0.160
ZHA-UNK-6154d07a-12
0.160
MAR-UCB-195bc32d-43
0.160
MAR-TRE-1c920f6f-90
0.160
KEI-TRE-d5e2018a-24
0.160
DAV-CRI-14a23e73-2
0.160
MAK-UNK-7a704a63-18
0.159
MAK-UNK-c8c8f7e2-41
0.159
MAR-TRE-0fda4e82-88
0.159
MAR-UCB-195bc32d-37
0.158
LIZ-THE-d3ff4653-2
0.158
MAR-TRE-e86a56b5-64
0.158
TER-UNK-b9d4d16f-7
0.157
VIT-UNK-026187e6-3
0.157
WIL-LEE-364b6ea8-10
0.157
MAK-UNK-c44f4be0-9
0.157
TAT-ENA-80bfd3e5-47
0.157
MAK-UNK-c749d764-33
0.157
WIL-LEE-23e8b574-7
0.157
MAK-UNK-acefcb18-1
0.157
NIC-BIO-7d400292-3
0.156
DAV-CRI-25b90884-4
0.156
UNK-UNK-2ede4078-104
0.156
MAK-UNK-c44f4be0-2
0.156
WIL-LEE-364b6ea8-6
0.156
DAV-CRI-3edb475e-2
0.156
MAR-TRE-e86a56b5-83
0.156
KEI-TRE-d5e2018a-81
0.156
MAR-TRE-e86a56b5-41
0.156
MAR-TRE-fffca54f-71
0.155