Molecular Properties | |
SMILES: | O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccco1 |
MW: | 254.285 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 43.35 |
cLogP: | 4.0926 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-2334161570 |
MolPort: | MolPort-000-563-810 |
Filter44_michael_acceptor2
Ketone
vinyl michael acceptor1
ene_one_ene_A(57)
AAR-POS-fca48359-14
1.000
GUZ-UNI-5a173832-3
0.500
GUZ-UNI-cc80d5b0-1
0.500
NJA-MAN-b9fb953f-1
0.257
MAR-TRE-9c797165-31
0.235
MAR-TRE-2fd8122f-14
0.221
MAR-TRE-fd17a9b8-21
0.205
MAT-POS-162a9720-12
0.203
MAR-LAB-ff9967db-18
0.189
MAK-UNK-7c9d1431-28
0.185
MAT-POS-b5746674-37
0.181
LON-WEI-5e7d1b3e-59
0.181
LON-WEI-4d77710c-59
0.181
BRU-UNI-418e22dc-10
0.181
WAR-XCH-b72a1bbc-7
0.179
MAT-POS-ea426761-17
0.177
MAR-TRE-6a44bbf2-61
0.175
AAR-POS-d2a4d1df-29
0.175
MAR-UNI-cd28c081-1
0.174
MAR-TRE-fd17a9b8-68
0.171
MAR-TRE-d3c2bf0e-41
0.169
MAK-UNK-10dfa458-22
0.169
LYN-UNI-7bb260d6-9
0.169
MAT-POS-ea426761-20
0.169
JAR-KUA-672ec752-8
0.169
MAR-TRE-fd17a9b8-96
0.169
MAR-TRE-aca67d11-33
0.167
LYN-UNI-c2dd631d-12
0.167
MAR-TRE-fd17a9b8-37
0.167
MAR-TRE-fd17a9b8-74
0.167
MAR-TRE-f5c2d31c-31
0.164
BEN-DND-03ad4429-6
0.164
LYN-UNI-0d9431a4-6
0.164
MAR-TRE-7f7bb9f0-35
0.162
DOU-UNK-b5326f8f-12
0.162
MAK-UNK-987948f6-9
0.162
MAK-UNK-c8c8f7e2-36
0.162
MAK-UNK-7a704a63-19
0.162
MAK-UNK-10dfa458-27
0.162
MAR-TRE-fd17a9b8-46
0.160
MAR-TRE-e86a56b5-67
0.159
MAK-UNK-c8c8f7e2-9
0.159
BEN-DND-03ad4429-2
0.159
MAK-UNK-7a704a63-18
0.159
MAK-UNK-7a704a63-4
0.159
LYN-UNI-0d9431a4-1
0.159
MAK-UNK-3f402c2b-7
0.159
MAK-UNK-c8c8f7e2-41
0.159
MAT-POS-ea426761-8
0.159
MAR-TRE-6a44bbf2-1
0.159
MAR-LAB-ca4662a6-6
0.158
AAR-UNI-c25c2f1e-35
0.158
LYN-UNI-0d9431a4-5
0.158
MAR-TRE-9c797165-54
0.157
MAT-POS-ea426761-21
0.157
JAG-SYN-9c2cd0bd-10
0.157
MAT-POS-b5746674-36
0.157
NAU-LAT-64f4b287-2
0.157
LON-WEI-5e7d1b3e-45
0.157
LON-WEI-4d77710c-45
0.157
MAR-TRE-6a44bbf2-40
0.156
WAR-XCH-b72a1bbc-42
0.156
GIA-UNK-995df016-11
0.155
LYN-UNI-aac70ff6-1
0.155
MAK-UNK-7a704a63-21
0.155
MAK-UNK-c8c8f7e2-38
0.155
MAK-UNK-c8c8f7e2-37
0.155
MAR-TRE-36bf7dba-82
0.155
UNK-UNK-2ede4078-42
0.155
MAR-LAB-ff9967db-39
0.155
UNK-UNK-2ede4078-49
0.155
MAR-TRE-a3327163-45
0.155
MAR-TRE-9c797165-23
0.154
AAR-POS-0daf6b7e-36
0.154
MAT-POS-b5746674-35
0.153
AAR-UNI-c25c2f1e-91
0.153
MAR-TRE-87acfbcc-1
0.153
AAR-UNI-c25c2f1e-93
0.153
MAK-UNK-7a704a63-22
0.153
LYN-UNI-0d9431a4-2
0.153
MAR-TRE-1c920f6f-2
0.153
MAK-UNK-7a704a63-24
0.153
MAK-UNK-10dfa458-3
0.153
PEI-IMP-e4a008a2-1
0.153
MAK-UNK-987948f6-8
0.152
MAR-TRE-fd17a9b8-82
0.152
OLE-CAR-5b17bec5-1
0.152
AAR-POS-d2a4d1df-4
0.152
MAR-TRE-9c797165-72
0.151
DAV-IMP-59dd6621-27
0.151
MAR-TRE-ebcc4ad6-46
0.151
JOO-IND-68bcc4bc-1
0.151
MAR-TRE-e86a56b5-73
0.151
BEN-VAN-5787f7d3-4
0.151
MAR-TRE-74c6519b-61
0.150
SAD-SAT-2fd372d1-5
0.150
MAK-UNK-3f402c2b-13
0.150
DAV-IMP-59dd6621-9
0.149
MAR-UCB-195bc32d-42
0.149
MAK-UNK-0b1cbb06-4
0.149