Molecular Properties | |
SMILES: | CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1=O |
MW: | 316.441 |
Fraction sp3: | 0.7 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 54.37 |
cLogP: | 4.5293 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-003-660-956 |
chinone
p-Quinones
Quinones, quinone-(di)imines and their thio- and phospho-analogues
N1 Quinones
Filter42_12_dicarbonyl_tautomer
quinones
Ketone
quinone
quinone_A(370)
Enol
AAR-POS-d2a4d1df-1
ZHA-UNK-6154d07a-5
0.202
MAR-UNI-c84db004-8
0.196
BRU-UNI-248b30bc-42
0.175
MAR-TRE-fffca54f-29
0.170
BRU-LEF-cf996d6c-1
0.169
HOL-KAN-bccba850-1
0.165
WIL-LEE-364b6ea8-4
0.163
VIK-SYN-9a3d118a-5
0.163
MAR-TRE-c317dd82-62
0.161
CHL-FNM-edb70837-1
0.160
BRU-UNI-248b30bc-52
0.160
JON-UNI-2a110085-4
0.159
VIK-SYN-9a3d118a-3
0.158
KEN-BAY-a5d2a46d-1
0.158
ZHA-UNK-6154d07a-4
0.157
HOL-KAN-bccba850-2
0.157
RAF-POL-b61b4b25-2
0.156
JON-UNI-2a110085-1
0.155
BRU-UNI-248b30bc-21
0.155
ZHA-UNK-6154d07a-14
0.155
MAR-UNI-c84db004-1
0.154
PRA-UNK-a00a7dba-1
0.154
JON-UNI-2a110085-2
0.153
ASH-UNK-e28bb067-10
0.152
LON-WEI-adc59df6-89
0.151
MAR-TRE-36bf7dba-71
0.151
CLI-TLC-6e8ddb09-1
0.150
RIC-ARG-a8e88843-3
0.150
MIC-FED-19b1f86d-3
0.150
RAF-POL-9fce0577-1
0.149
MAR-TRE-4b834d9a-62
0.149
BRU-UNI-418e22dc-4
0.148
JON-UNI-57097b3f-4
0.147
MAR-TRE-f6f5f473-37
0.147
BRU-CON-67e07230-1
0.147
TIM-UNK-da3ada48-1
0.147
TIM-UNK-e02812d1-1
0.147
KEN-ILL-f8fa3277-2
0.146
PET-SGC-1fc12be1-1
0.146
MAR-TRE-04c86cea-48
0.146
SID-ELM-2583a2cd-15
0.146
RAF-POL-950dada1-5
0.146
MIC-FED-19b1f86d-1
0.146
ABI-UNK-6fa18b51-1
0.146
MAR-TRE-f6f5f473-28
0.144
MAR-TRE-92684b97-95
0.144
OLE-CAR-5b17bec5-13
0.144
AAR-POS-fca48359-22
0.144
BRU-UNI-248b30bc-49
0.143
MAK-UNK-c749d764-33
0.143
KEN-UNK-444762e5-1
0.143
KEN-BAY-d8ca960f-1
0.143
DAR-DIA-0cde14eb-40
0.143
MAR-TRE-c8530538-49
0.143
BAR-COM-4e090d3a-20
0.143
BRU-UNI-248b30bc-38
0.143
UNK-CYC-68f84b31-89
0.143
SID-ELM-b654bfa2-8
0.143
MAR-UNI-c84db004-19
0.143
MAR-TRE-6a44bbf2-25
0.143
MAT-POS-bfefc3ea-1
0.142
AAR-POS-dddeddbf-5
0.142
LON-WEI-adc59df6-94
0.142
MIC-FED-19b1f86d-2
0.142
DAR-DIA-0cde14eb-42
0.142
MAK-UNK-2f4e0e87-1
0.142
MAT-POS-ea426761-96
0.142
MAR-TRE-67513f76-31
0.141
KEN-BAY-1e910e25-1
0.141
CLI-TLC-bf000c24-1
0.141
MAK-UNK-7a704a63-11
0.141
DAV-IMP-59dd6621-8
0.141
GER-UNI-9e096ee1-1
0.141
MAK-UNK-c8c8f7e2-2
0.141
MAR-TRE-aca67d11-27
0.141
GIA-UNK-995df016-1
0.141
MAK-UNK-f983951f-19
0.141
MAK-UNK-f983951f-3
0.141
MAR-TRE-f6f5f473-43
0.140
RIC-ARG-a8e88843-2
0.140
CLI-TLC-0925f3e9-1
0.140
WAR-XCH-bdd24732-46
0.140
MAR-TRE-4f781e27-76
0.140
MED-UNK-e6e8ef8a-1
0.140
MAK-UNK-d508046f-12
0.140
MAR-TRE-aca67d11-88
0.140
BEN-DND-f06bfa8e-10
0.139
JON-UIO-f971c856-2
0.139
MAR-UNI-c84db004-10
0.139
AAR-UNI-c25c2f1e-93
0.139
MAK-UNK-f983951f-9
0.138
SID-ELM-2583a2cd-2
0.138
CLI-TLC-d1d1c3aa-1
0.138
MAT-POS-590ac91e-22
0.138
MAR-TRE-aca67d11-91
0.138
MAR-TRE-f6f5f473-88
0.138
DAR-DIA-0cde14eb-43
0.138
LON-WEI-adc59df6-92
0.138
BAR-COM-4e090d3a-26
0.137
MAR-TRE-b77b7921-77
0.137