Molecular Properties | |
SMILES: | O=C(/C=C/c1ccccc1)c1ccccc1 |
MW: | 208.26 |
Fraction sp3: | 0.0 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 17.07 |
cLogP: | 3.5827 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3405447576 |
MolPort: | MolPort-000-513-959 |
Filter44_michael_acceptor2
Ketone
Dye 9
vinyl michael acceptor1
phenylethene
AAR-POS-d2a4d1df-1
AAR-POS-fca48359-2
0.640
DAV-IMP-59dd6621-10
0.540
DAV-IMP-59dd6621-11
0.471
DRV-DNY-ae159ed1-1
0.404
MIC-FED-19b1f86d-4
0.379
MAK-UNK-7c9d1431-27
0.317
AHN-SAT-de2502ba-14
0.305
SAD-SAT-65574d3f-1
0.305
MAK-UNK-987948f6-2
0.296
BEN-DND-03ad4429-8
0.294
TAT-ENA-80bfd3e5-11
0.292
BEN-DND-03ad4429-4
0.286
CHR-GRO-516f90f3-1
0.284
DRV-DNY-ae159ed1-11
0.281
GIA-UNK-5ec6c2b8-1
0.273
CHR-SOS-7098f804-9
0.271
TAT-ENA-80bfd3e5-2
0.264
DAV-IMP-59dd6621-3
0.261
DRV-DNY-ae159ed1-15
0.258
TOB-UNK-c2aba166-4
0.254
DRV-DNY-ae159ed1-5
0.254
DRV-DNY-ae159ed1-4
0.254
DRV-DNY-ae159ed1-13
0.254
DRV-DNY-ae159ed1-6
0.254
DRV-DNY-ae159ed1-2
0.254
DRV-DNY-ae159ed1-3
0.254
DRV-DNY-ae159ed1-7
0.246
STE-KUL-2e0d2e88-1
0.246
LYN-UNI-7bb260d6-12
0.242
AAR-POS-0daf6b7e-5
0.242
DRV-DNY-ae159ed1-8
0.239
ERI-UCB-fbdd3ea1-32
0.239
DRV-DNY-ae159ed1-16
0.235
AHN-SAT-de2502ba-7
0.233
GIA-UNK-5ec6c2b8-5
0.233
GIA-UNK-d2defdc3-4
0.229
MAK-UNK-7c9d1431-24
0.228
DRR-IMP-38dce17f-3
0.228
SAL-UNI-60119594-10
0.227
SAD-SAT-d8079f6f-10
0.226
GIA-UNK-d2defdc3-2
0.226
DRV-DNY-ae159ed1-12
0.225
DRV-DNY-ae159ed1-10
0.225
SAD-SAT-6b5a89f0-8
0.224
CHR-SOS-7098f804-6
0.224
ERI-WAB-56c49854-1
0.222
DRV-DNY-ae159ed1-14
0.222
MAD-UNK-d7ec037c-1
0.221
MAD-UNK-1cc096ab-1
0.221
MAD-UNK-3bd48932-1
0.221
MAD-UNK-d7ec037c-3
0.221
MAD-UNK-4169353f-1
0.221
MAK-UNK-3f402c2b-18
0.221
SIM-SYN-f15aaa3a-1
0.220
VLA-UNK-b5cf542b-1
0.220
MAK-UNK-15efde89-1
0.219
ERI-WAB-212bafa6-1
0.217
JON-UIO-d041ac75-1
0.217
RAM-UNK-6a5d9687-1
0.216
MAR-TRE-6a44bbf2-99
0.216
SAD-SAT-d8079f6f-8
0.216
ZAC-WAB-0847d168-1
0.215
MAK-UNK-10799360-2
0.215
DRR-SHR-2ae5ab8c-2
0.214
BRU-UNI-248b30bc-32
0.214
TAT-ENA-80bfd3e5-35
0.214
MAR-TRE-6a44bbf2-21
0.213
MAK-UNK-7c9d1431-9
0.213
ERI-WAB-212bafa6-2
0.213
ZAC-WAB-b0242612-1
0.213
JON-UIO-d041ac75-2
0.213
AAA-OOO-6ef70637-1
0.213
ANT-DIA-b7f58f21-4
0.212
GIA-UNK-20b63697-4
0.211
MAR-LAB-efb042c5-1
0.211
TAT-ENA-80bfd3e5-29
0.211
GIA-UNK-a33ae3bd-1
0.209
DRR-SHR-2ae5ab8c-4
0.208
DRR-SHR-2ae5ab8c-5
0.208
AAR-UNI-c25c2f1e-41
0.208
DRV-DNY-ae159ed1-9
0.208
SAD-SAT-d8079f6f-7
0.208
AAR-POS-0daf6b7e-44
0.207
GIA-UNK-5ec6c2b8-4
0.207
DRR-SHR-2ae5ab8c-1
0.205
CHR-SOS-7098f804-8
0.203
GIA-UNK-5ec6c2b8-3
0.203
MAR-TRE-e86a56b5-69
0.203
MAK-UNK-7c9d1431-23
0.203
MAR-TRE-6a44bbf2-28
0.203
WIL-LEE-364b6ea8-16
0.203
MAR-TRE-6a44bbf2-92
0.203
SWA-SYN-6423ea73-1
0.203
SWA-SYN-d2e6fa14-1
0.203
MAR-TRE-e86a56b5-94
0.203
DRV-DNY-ae159ed1-17
0.203
GIA-UNK-7337c2f3-6
0.203
GIA-UNK-7337c2f3-3
0.203
DRR-SHR-2ae5ab8c-3
0.203
MAR-TRE-6a44bbf2-71
0.203