Molecular Properties | |
SMILES: | O=C1/C(=C/C=C/c2ccco2)CCC/C1=C\C=C\c1ccco1 |
MW: | 306.361 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 43.35 |
cLogP: | 5.205 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1957308715 |
Activated double bonds (2)
Filter44_michael_acceptor2
Ketone
vinyl michael acceptor1
ene_one_ene_A(57)
Polyene
GUZ-UNI-5a173832-3
1.000
AAR-POS-fca48359-14
0.500
GUZ-UNI-5a173832-2
0.500
GUZ-UNI-167d4d0a-1
0.211
GUZ-UNI-5a173832-1
0.211
GUZ-UNI-cc80d5b0-2
0.211
MAR-TRE-6a44bbf2-61
0.191
AAR-POS-d2a4d1df-29
0.191
MAR-TRE-fd17a9b8-21
0.188
NJA-MAN-b9fb953f-1
0.186
MAK-UNK-7c9d1431-28
0.183
MAT-POS-162a9720-12
0.182
LYN-UNI-0d9431a4-6
0.181
MAR-TRE-9c797165-31
0.179
MAR-LAB-ff9967db-18
0.175
MAR-TRE-d3c2bf0e-41
0.169
LYN-UNI-0d9431a4-2
0.169
JAR-KUA-672ec752-8
0.169
MAR-TRE-fd17a9b8-37
0.167
MAR-TRE-2fd8122f-14
0.167
LYN-UNI-c2dd631d-12
0.167
MAR-TRE-f5c2d31c-31
0.165
LYN-UNI-b265e4fd-8
0.165
LYN-UNI-c2dd631d-4
0.165
MAK-UNK-10dfa458-21
0.164
MAK-UNK-987948f6-9
0.163
WAR-XCH-b72a1bbc-7
0.162
MAR-TRE-74c6519b-61
0.162
LYN-UNI-0d9431a4-1
0.160
MAR-TRE-6a44bbf2-1
0.159
AAR-UNI-c25c2f1e-35
0.159
LYN-UNI-0d9431a4-5
0.159
NAU-LAT-64f4b287-2
0.157
LYN-UNI-aac70ff6-1
0.156
LYN-UNI-7bb260d6-4
0.156
LYN-UNI-c2dd631d-3
0.156
MAK-UNK-7a704a63-21
0.156
MAK-UNK-c8c8f7e2-38
0.156
MAK-UNK-c8c8f7e2-37
0.156
GIA-UNK-995df016-11
0.156
LYN-UNI-7bb260d6-9
0.154
MAR-TRE-fd17a9b8-74
0.153
MAK-UNK-987948f6-8
0.153
AAR-POS-d2a4d1df-4
0.153
DAV-IMP-59dd6621-27
0.152
TAT-ENA-80bfd3e5-41
0.152
DAV-IMP-59dd6621-9
0.151
MAK-UNK-0b1cbb06-4
0.151
BRU-UNI-418e22dc-10
0.150
MAR-UNI-cd28c081-1
0.150
MAR-TRE-799db12b-3
0.149
MAT-POS-ea426761-17
0.149
BEN-DND-03ad4429-6
0.149
MAK-UNK-6435e6c2-4
0.149
DAV-IMP-59dd6621-22
0.148
MAR-TRE-7f7bb9f0-35
0.148
MAR-TRE-4f39ef4a-17
0.148
MAK-UNK-0b1cbb06-1
0.148
MAR-TRE-fd17a9b8-46
0.148
MAK-UNK-c8c8f7e2-10
0.147
MAK-UNK-7a704a63-5
0.147
MAK-UNK-c8c8f7e2-36
0.147
MAK-UNK-7a704a63-19
0.147
MAT-POS-ea426761-18
0.146
AAR-UNI-c25c2f1e-24
0.146
JAN-GHE-86445305-3
0.146
MAK-UNK-c8c8f7e2-2
0.145
MAK-UNK-c8c8f7e2-9
0.145
BEN-DND-03ad4429-2
0.145
MAK-UNK-7a704a63-4
0.145
MAK-UNK-7a704a63-11
0.145
MAK-UNK-3f402c2b-7
0.145
MAR-TRE-e86a56b5-67
0.145
MAR-LAB-ff9967db-35
0.145
MAR-LAB-ca4662a6-6
0.145
LON-WEI-5e7d1b3e-45
0.144
LON-WEI-4d77710c-45
0.144
MAT-POS-b5746674-36
0.144
MAK-UNK-f2409524-17
0.144
MAT-POS-ea426761-8
0.143
MAR-TRE-a3327163-45
0.143
MAT-POS-b5746674-3
0.143
JAG-SYN-9c2cd0bd-10
0.143
WAR-XCH-b72a1bbc-42
0.143
LOR-NEU-c8f11034-1
0.143
MAR-TRE-fd17a9b8-96
0.143
MAR-TRE-3e4e6814-33
0.143
ABI-SAT-aa268ad7-7
0.143
MAR-TRE-6a44bbf2-40
0.143
MAR-TRE-b77b7921-13
0.141
AAR-UNI-c25c2f1e-91
0.141
LYN-UNI-c2dd631d-9
0.141
MAT-POS-ea426761-20
0.141
DAV-IMP-59dd6621-30
0.141
NJA-MAN-00c90aa2-5
0.140
LON-WEI-8f408cad-11
0.140
LON-WEI-b8d98729-3
0.140
MAR-TRE-fd17a9b8-82
0.140
MAK-UNK-10dfa458-3
0.139
MAR-TRE-1c920f6f-2
0.139