Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1ccc(Br)cc1 |
MW: | 339.192 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.85 |
cLogP: | 4.2884 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
Filter44_michael_acceptor2
aryl bromide
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-11
0.759
DRV-DNY-ae159ed1-2
0.733
DRV-DNY-ae159ed1-6
0.733
DRV-DNY-ae159ed1-13
0.733
DRV-DNY-ae159ed1-3
0.733
DRV-DNY-ae159ed1-5
0.733
DRV-DNY-ae159ed1-1
0.724
DRV-DNY-ae159ed1-7
0.710
DRV-DNY-ae159ed1-15
0.689
DRV-DNY-ae159ed1-8
0.688
DRV-DNY-ae159ed1-10
0.672
DRV-DNY-ae159ed1-16
0.625
DRV-DNY-ae159ed1-12
0.597
DRV-DNY-ae159ed1-18
0.594
DRV-DNY-ae159ed1-14
0.588
DRV-DNY-ae159ed1-20
0.567
DRV-DNY-ae159ed1-17
0.561
DRV-DNY-ae159ed1-9
0.548
DRV-DNY-ae159ed1-19
0.500
DRV-DNY-5c7d8ee8-1
0.266
DRV-DNY-5c7d8ee8-2
0.265
MAR-TRE-66ac689e-39
0.265
DAV-IMP-59dd6621-12
0.254
MAR-TRE-aca67d11-18
0.253
MAR-TRE-8a25d817-13
0.253
DAV-IMP-59dd6621-11
0.234
LIL-FNM-97d58b1d-1
0.224
BAR-COM-0f94fc3d-37
0.220
RED-RED-10c9212c-30
0.219
MAR-LAB-ff9967db-7
0.216
DAV-IMP-59dd6621-10
0.212
MAR-TRE-0fda4e82-39
0.205
GAB-REV-df64cf17-21
0.204
MAR-TRE-9d18ae8c-51
0.204
MAR-TRE-92684b97-65
0.200
MAR-TRE-aca67d11-28
0.200
MAT-POS-ea426761-100
0.200
AAR-POS-fca48359-2
0.200
MAR-TRE-f6f5f473-33
0.198
MAR-TRE-8190bb11-89
0.198
GGM-FNM-12cd6902-1
0.198
MAR-TRE-d3c2bf0e-79
0.197
MAR-TRE-f5c2d31c-91
0.196
MAR-TRE-4f781e27-78
0.195
DAR-DIA-8e329c92-1
0.194
NIM-UNI-bb9030bf-3
0.194
RED-RED-10c9212c-1
0.193
MAR-TRE-92684b97-63
0.193
JON-UIO-d041ac75-1
0.192
MAR-TRE-3e4e6814-68
0.192
MAD-UNK-2d4faae7-1
0.191
MAR-TRE-92684b97-98
0.189
DRR-SHR-2ae5ab8c-6
0.189
RED-RED-10c9212c-24
0.189
MAR-TRE-1c920f6f-47
0.189
MAR-TRE-4f781e27-73
0.188
ALP-POS-3b848b35-3
0.187
LIL-FNM-c6f69784-1
0.187
DRV-DNY-3e405af9-9
0.185
DRR-SHR-9a662592-1
0.185
MAR-TRE-8190bb11-72
0.184
MAR-TRE-67513f76-97
0.184
WIL-UNI-2a57d06c-18
0.184
MAR-LAB-ca4662a6-10
0.183
MAR-TRE-ebcc4ad6-45
0.182
MAR-TRE-f6f5f473-67
0.182
GAB-REV-70cc3ca5-9
0.181
DRR-SHR-2ae5ab8c-7
0.181
MAR-TRE-92684b97-24
0.180
MAR-TRE-f5c2d31c-3
0.179
GGM-FNM-12cd6902-2
0.179
LON-WEI-b8d98729-9
0.179
UNK-UNK-2ede4078-37
0.178
MAR-TRE-8190bb11-74
0.178
MAR-TRE-1c920f6f-98
0.178
LON-WEI-d1c9908a-11
0.178
CLI-TLC-2cc8a57a-1
0.177
MAR-TRE-4b834d9a-96
0.177
MAR-TRE-92684b97-50
0.176
LON-WEI-b8d98729-35
0.176
MAR-TRE-c8530538-16
0.175
MAR-TRE-f6f5f473-83
0.175
WAR-XCH-b0339bbe-19
0.175
MAR-TRE-f6f5f473-20
0.175
MAR-TRE-4f781e27-32
0.174
LON-WEI-b8d98729-14
0.174
AAR-UNI-c25c2f1e-76
0.173
MAR-TRE-04c86cea-71
0.173
MAR-TRE-b77b7921-57
0.173
MAR-TRE-9d18ae8c-78
0.172
MAR-TRE-2fd8122f-85
0.172
MAR-TRE-9d18ae8c-12
0.172
MAT-POS-8d5af1ef-1
0.171
MAR-TRE-04c86cea-48
0.170
AHN-SAT-324b361c-1
0.170
UNK-UNK-2ede4078-100
0.170
BAR-COM-0f94fc3d-29
0.170
JAN-GHE-1d98ec1c-10
0.169
SID-ELM-2583a2cd-11
0.169
ANT-OPE-45835252-2
0.169