Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1ccc(O)cc1 |
MW: | 276.295 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 63.08 |
cLogP: | 3.2315 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-1
0.782
DRV-DNY-ae159ed1-4
0.759
DRV-DNY-ae159ed1-3
0.759
DRV-DNY-ae159ed1-5
0.759
DRV-DNY-ae159ed1-2
0.759
DRV-DNY-ae159ed1-6
0.759
DRV-DNY-ae159ed1-13
0.759
DRV-DNY-ae159ed1-7
0.733
DRV-DNY-ae159ed1-15
0.712
DRV-DNY-ae159ed1-8
0.710
DRV-DNY-ae159ed1-12
0.667
DRV-DNY-ae159ed1-16
0.645
DRV-DNY-ae159ed1-10
0.615
DRV-DNY-ae159ed1-18
0.612
DRV-DNY-ae159ed1-14
0.606
DRV-DNY-ae159ed1-17
0.578
DRV-DNY-ae159ed1-9
0.563
DRV-DNY-ae159ed1-20
0.561
DRV-DNY-ae159ed1-19
0.514
MAR-TRE-aca67d11-18
0.291
DAV-IMP-59dd6621-12
0.281
MAR-TRE-8a25d817-13
0.275
DRV-DNY-5c7d8ee8-1
0.273
MAR-TRE-66ac689e-39
0.272
DAV-IMP-59dd6621-11
0.257
GIA-UNK-a33ae3bd-1
0.250
RED-RED-10c9212c-30
0.237
DAV-IMP-59dd6621-10
0.234
MAR-TRE-aca67d11-28
0.233
LIL-FNM-97d58b1d-1
0.229
MAR-TRE-f5c2d31c-91
0.226
MAR-LAB-ff9967db-7
0.220
AAR-POS-fca48359-2
0.220
DRV-DNY-5c7d8ee8-2
0.212
DRV-DNY-3e405af9-9
0.212
GAB-REV-df64cf17-21
0.209
SAL-UNI-60119594-10
0.209
MAR-TRE-f5c2d31c-3
0.209
MAR-TRE-9d18ae8c-20
0.208
MAR-TRE-9d18ae8c-14
0.207
MAR-TRE-92684b97-98
0.207
MAR-TRE-92684b97-65
0.205
MAT-POS-ea426761-100
0.204
MAR-TRE-3e4e6814-31
0.202
MAR-TRE-f6f5f473-33
0.202
UNK-UNK-2ede4078-83
0.196
MAR-TRE-a78003aa-70
0.193
MAR-TRE-e86a56b5-46
0.193
MAR-TRE-aca67d11-49
0.191
LIL-FNM-c6f69784-1
0.191
ALP-POS-3b848b35-3
0.191
WAR-XCH-b0339bbe-19
0.190
MAR-TRE-04c86cea-71
0.189
ROD-LAS-d5538ff9-9
0.189
MAR-TRE-8a25d817-33
0.188
BAR-COM-0f94fc3d-37
0.188
WIL-UNI-2a57d06c-18
0.188
MAR-TRE-e86a56b5-69
0.188
MAN-SYN-45e45961-5
0.187
MAR-TRE-ebcc4ad6-45
0.187
NAU-LAT-64f4b287-6
0.186
MAR-TRE-f6f5f473-67
0.186
MAR-TRE-66ac689e-75
0.185
GAB-REV-70cc3ca5-9
0.185
MAR-TRE-ebcc4ad6-35
0.185
UNK-UNK-2ede4078-100
0.184
MAR-TRE-aca67d11-85
0.183
MAD-UNK-2d4faae7-1
0.183
UNK-UNK-2ede4078-37
0.182
GAB-REV-70cc3ca5-4
0.181
DRR-SHR-2ae5ab8c-6
0.181
DRR-SHR-2ae5ab8c-8
0.181
CLI-TLC-2cc8a57a-1
0.181
MAR-TRE-4b834d9a-96
0.181
RED-RED-10c9212c-24
0.180
VIT-UNK-026187e6-7
0.179
KRI-MAR-d2e3ef86-17
0.178
MAR-TRE-9d18ae8c-78
0.176
WIL-UNI-d4749f31-14
0.176
DRR-SHR-9a662592-1
0.176
AHN-SAT-02ef6d10-1
0.176
MAR-TRE-9d18ae8c-12
0.175
MAR-TRE-66ac689e-41
0.174
MAR-TRE-85681e92-36
0.174
AHN-SAT-324b361c-1
0.174
DAR-DIA-8e329c92-1
0.173
MAR-TRE-14ce9fd6-63
0.173
MAR-UCB-195bc32d-56
0.172
JAN-GHE-1d98ec1c-10
0.172
JIN-POS-6dc588a4-21
0.172
DRR-SHR-2ae5ab8c-10
0.172
DRR-SHR-2ae5ab8c-7
0.172
MAR-TRE-f6f5f473-39
0.172
WIL-UNI-2a57d06c-38
0.172
BAR-COM-0f94fc3d-55
0.172
MAR-TRE-c8530538-26
0.172
WAR-XCH-bdd24732-16
0.171
MAN-SYN-45e45961-10
0.171
MAR-TRE-e86a56b5-62
0.171
MAR-TRE-aca67d11-81
0.171