Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1ccncc1 |
MW: | 261.284 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 55.74 |
cLogP: | 2.9209 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-1
0.737
DRV-DNY-ae159ed1-11
0.712
DRV-DNY-ae159ed1-4
0.689
DRV-DNY-ae159ed1-2
0.689
DRV-DNY-ae159ed1-6
0.689
DRV-DNY-ae159ed1-16
0.689
DRV-DNY-ae159ed1-3
0.689
DRV-DNY-ae159ed1-13
0.689
DRV-DNY-ae159ed1-5
0.689
DRV-DNY-ae159ed1-7
0.667
DRV-DNY-ae159ed1-8
0.646
DRV-DNY-ae159ed1-12
0.606
DRV-DNY-ae159ed1-10
0.606
DRV-DNY-ae159ed1-14
0.597
DRV-DNY-ae159ed1-17
0.594
DRV-DNY-ae159ed1-18
0.580
DRV-DNY-ae159ed1-9
0.556
DRV-DNY-ae159ed1-20
0.552
DRV-DNY-ae159ed1-19
0.507
MAR-TRE-66ac689e-39
0.284
DRV-DNY-5c7d8ee8-1
0.269
DAV-IMP-59dd6621-12
0.258
MAR-TRE-8a25d817-13
0.256
MAR-TRE-aca67d11-18
0.256
AUS-WAB-916db9c0-2
0.242
DAV-IMP-59dd6621-11
0.237
RED-RED-10c9212c-30
0.234
GIA-UNK-d2defdc3-2
0.234
MAT-POS-ea426761-100
0.227
GAB-REV-70cc3ca5-9
0.222
GAB-REV-df64cf17-21
0.220
MAR-TRE-4b834d9a-96
0.217
MAR-TRE-92684b97-65
0.216
DAV-IMP-59dd6621-10
0.215
BAR-COM-655b106d-2
0.215
MAR-TRE-c8530538-51
0.212
LIL-FNM-97d58b1d-1
0.212
GIA-UNK-3f36037a-7
0.211
MAR-TRE-f5c2d31c-91
0.211
DRV-DNY-5c7d8ee8-2
0.209
MAR-TRE-799db12b-2
0.209
MAR-TRE-9c797165-46
0.207
BAR-COM-655b106d-4
0.206
MAR-LAB-ff9967db-7
0.206
MAR-TRE-92684b97-98
0.204
GAB-REV-70cc3ca5-4
0.204
IAN-BAS-e945b602-1
0.204
GIA-UNK-30c7cb75-1
0.203
GIA-UNK-d2defdc3-1
0.202
AAR-POS-fca48359-2
0.202
MAR-TRE-aca67d11-28
0.202
MAR-TRE-04c86cea-71
0.200
MAK-UNK-ca11b4f7-2
0.200
WIL-UNI-2a57d06c-18
0.198
UNK-UNK-2ede4078-50
0.198
BEN-DND-93268d01-4
0.198
GIA-UNK-30c7cb75-3
0.198
MAT-POS-590ac91e-18
0.198
MAT-POS-ea426761-86
0.196
DAR-DIA-8e329c92-1
0.196
UNK-UNK-2ede4078-61
0.196
THO-SYG-cc9e9a11-1
0.196
MAR-TRE-66ac689e-58
0.195
BAR-COM-5694a99d-2
0.194
GAB-REV-70cc3ca5-23
0.194
MAT-POS-590ac91e-12
0.193
MAT-POS-590ac91e-22
0.193
MAK-UNK-6ca90168-27
0.192
WIL-WAB-6ef46ddb-1
0.191
PET-SGC-d5b502b1-1
0.191
NAU-LAT-3f5f3993-3
0.191
BAR-COM-4e090d3a-33
0.190
MAR-TRE-c8530538-55
0.190
MAT-POS-590ac91e-11
0.190
GAB-REV-70cc3ca5-7
0.189
MAR-TRE-3e4e6814-61
0.189
ALP-POS-3b848b35-3
0.189
LIL-FNM-c6f69784-1
0.189
MAR-TRE-f6f5f473-33
0.189
AAR-POS-d2a4d1df-3
0.188
MAK-UNK-2c1752f0-2
0.188
MAK-UNK-6435e6c2-8
0.188
MAK-UNK-d1e89583-6
0.188
ANN-UNI-98d2bf15-1
0.188
JOH-UNI-abfda500-6
0.188
WAR-XCH-b0339bbe-19
0.188
TRY-UNI-714a760b-4
0.188
ALE-HEI-f28a35b5-1
0.188
AUS-ARG-7cfdce8f-11
0.188
MAR-TRE-c8530538-4
0.187
RUT-UNI-630c5802-4
0.187
RAL-MED-9a5eb9cb-4
0.187
DRV-DNY-3e405af9-9
0.187
MAR-TRE-d0525fbf-63
0.187
MAR-TRE-92684b97-61
0.187
WIL-UNI-5578df48-26
0.187
MAR-TRE-66ac689e-96
0.187
MAR-TRE-92684b97-79
0.187
BAR-COM-0f94fc3d-37
0.186
BEN-DND-93268d01-13
0.186