Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1cccc(Br)c1 |
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-ae159ed1-12
0.719
DRV-DNY-ae159ed1-14
0.708
DRV-DNY-ae159ed1-9
0.681
DRV-DNY-ae159ed1-4
0.672
DRV-DNY-ae159ed1-1
0.661
DRV-DNY-ae159ed1-16
0.621
DRV-DNY-ae159ed1-11
0.615
DRV-DNY-ae159ed1-18
0.614
DRV-DNY-ae159ed1-15
0.606
DRV-DNY-ae159ed1-2
0.597
DRV-DNY-ae159ed1-5
0.597
DRV-DNY-ae159ed1-13
0.597
DRV-DNY-ae159ed1-3
0.597
DRV-DNY-ae159ed1-6
0.597
DRV-DNY-ae159ed1-8
0.586
DRV-DNY-ae159ed1-7
0.580
DRV-DNY-ae159ed1-17
0.559
DRV-DNY-ae159ed1-20
0.543
DRV-DNY-ae159ed1-19
0.500
DRV-DNY-5c7d8ee8-2
0.301
DRV-DNY-5c7d8ee8-1
0.272
MAR-TRE-8a25d817-13
0.259
MAR-TRE-66ac689e-39
0.256
RED-RED-10c9212c-30
0.250
MAR-TRE-aca67d11-18
0.244
DAV-IMP-59dd6621-10
0.235
MAR-UCB-195bc32d-53
0.230
DAV-IMP-59dd6621-12
0.225
DAV-IMP-59dd6621-11
0.225
GAB-REV-df64cf17-21
0.223
MAR-TRE-92684b97-65
0.220
WIL-UNI-5578df48-13
0.219
DRR-SHR-9a662592-1
0.217
JAN-GHE-83b26c96-12
0.216
JON-UIO-d041ac75-1
0.215
MAR-TRE-4f781e27-71
0.215
MAR-TRE-f6f5f473-33
0.215
BAR-COM-0f94fc3d-37
0.214
DRV-DNY-3e405af9-9
0.213
DRR-SHR-2ae5ab8c-7
0.213
MAR-TRE-4f781e27-45
0.211
MAR-TRE-1c920f6f-44
0.211
MAR-LAB-ff9967db-7
0.210
MAR-TRE-92684b97-35
0.209
RED-RED-10c9212c-24
0.209
DRR-SHR-2ae5ab8c-6
0.208
ALP-POS-3b848b35-3
0.207
MAR-TRE-aca67d11-28
0.207
PET-UNK-c9c1e0d8-1
0.204
BER-UNK-c44c38d5-3
0.204
MAR-TRE-4f781e27-43
0.202
MAR-TRE-4f781e27-74
0.202
LIL-FNM-97d58b1d-1
0.202
JON-UIO-d041ac75-4
0.202
WIL-UNI-a125ac6f-2
0.202
DAR-DIA-8e329c92-1
0.200
BAR-COM-0f94fc3d-29
0.198
MAD-UNK-2d4faae7-1
0.198
JAN-GHE-f4ca5a00-9
0.196
MAR-TRE-0fda4e82-4
0.196
MAR-TRE-92684b97-98
0.196
MAR-TRE-8190bb11-20
0.194
LON-WEI-adc59df6-5
0.193
DAR-DIA-43a5904b-2
0.192
ROD-LAS-d5538ff9-9
0.191
BEN-VAN-5787f7d3-13
0.191
JAG-UCB-ef2c0e8e-2
0.190
BAR-COM-0f94fc3d-36
0.190
MAR-TRE-f5c2d31c-91
0.190
BAR-COM-0f94fc3d-23
0.189
MAR-UCB-195bc32d-56
0.189
MAR-TRE-f6f5f473-67
0.188
UNK-UNK-2ede4078-61
0.188
DRR-SHR-2ae5ab8c-10
0.188
BAR-COM-0f94fc3d-55
0.186
UNK-UNK-2ede4078-83
0.186
BAR-COM-0f94fc3d-24
0.186
DRR-SHR-2ae5ab8c-9
0.186
MAR-TRE-1c920f6f-68
0.185
UNK-UNK-2ede4078-37
0.184
DRR-SHR-2ae5ab8c-8
0.184
UNK-UNK-2ede4078-86
0.184
CHE-UNK-1fcbaeee-2
0.183
JAN-GHE-5a013bed-2
0.183
MAT-POS-ea426761-100
0.183
AAR-UNI-c25c2f1e-20
0.182
WEI-UNI-64684f14-4
0.182
MAR-TRE-f6f5f473-83
0.181
LIL-FNM-c6f69784-1
0.181
JAG-UCB-c61058a9-28
0.180
JON-UIO-56032f80-4
0.180
AAR-POS-fca48359-2
0.180
CHE-UNK-1fcbaeee-4
0.179
NIM-UNI-534877e5-2
0.179
JOO-IND-b13e14cc-1
0.179
WIL-UNI-2a57d06c-18
0.178
MAR-TRE-67513f76-97
0.178
JOO-IND-6372a4f3-1
0.178
WEI-UNI-64684f14-1
0.178
MAK-UNK-6435e6c2-7
0.177