Molecular Properties | |
SMILES: | Cc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1 |
MW: | 274.323 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.85 |
cLogP: | 3.83432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-11
0.759
DRV-DNY-ae159ed1-7
0.738
DRV-DNY-ae159ed1-2
0.733
DRV-DNY-ae159ed1-4
0.733
DRV-DNY-ae159ed1-5
0.733
DRV-DNY-ae159ed1-3
0.733
DRV-DNY-ae159ed1-13
0.733
DRV-DNY-ae159ed1-1
0.724
DRV-DNY-ae159ed1-15
0.689
DRV-DNY-ae159ed1-8
0.688
DRV-DNY-ae159ed1-16
0.625
DRV-DNY-ae159ed1-12
0.597
DRV-DNY-ae159ed1-10
0.597
DRV-DNY-ae159ed1-18
0.594
DRV-DNY-ae159ed1-14
0.588
DRV-DNY-ae159ed1-17
0.561
DRV-DNY-ae159ed1-9
0.548
DRV-DNY-ae159ed1-20
0.544
DRV-DNY-ae159ed1-19
0.521
DRV-DNY-5c7d8ee8-1
0.266
MAR-LAB-ff9967db-7
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
RED-RED-10c9212c-30
0.232
MAR-TRE-9d18ae8c-41
0.227
UNK-UNK-2ede4078-37
0.227
LIL-FNM-97d58b1d-1
0.224
MAR-TRE-9d18ae8c-4
0.220
GAB-REV-df64cf17-21
0.217
RED-RED-10c9212c-24
0.216
MAR-TRE-92684b97-65
0.213
MAR-TRE-9d18ae8c-11
0.213
DAV-IMP-59dd6621-10
0.212
MAT-POS-ea426761-100
0.212
ALP-POS-bad7201a-4
0.212
AHN-SAT-de2502ba-8
0.211
AAR-POS-d2a4d1df-25
0.211
MAR-TRE-f5c2d31c-91
0.208
DRV-DNY-5c7d8ee8-2
0.207
GAB-REV-70cc3ca5-9
0.207
MAR-TRE-f6f5f473-63
0.205
BAR-COM-0f94fc3d-55
0.204
UNK-UNK-2ede4078-80
0.204
MAR-TRE-92684b97-98
0.202
MAR-TRE-4b834d9a-96
0.202
CLI-TLC-2cc8a57a-1
0.202
AAR-POS-fca48359-2
0.200
WAR-XCH-bdd24732-13
0.200
MAR-TRE-aca67d11-28
0.200
MAR-TRE-f6f5f473-33
0.198
MAR-TRE-f6f5f473-9
0.198
DRR-SHR-9a662592-1
0.198
JAN-GHE-83b26c96-11
0.198
DRV-DNY-3e405af9-9
0.196
MAR-TRE-3e4e6814-13
0.196
KEI-TRE-d5e2018a-100
0.196
RAL-THA-2d450e86-3
0.195
MAR-TRE-f6f5f473-67
0.194
MAR-TRE-9d18ae8c-83
0.194
DRR-SHR-2ae5ab8c-7
0.194
MAR-TRE-92684b97-86
0.193
MAR-TRE-9d18ae8c-22
0.191
MAR-TRE-4f781e27-83
0.191
MAR-TRE-f5c2d31c-3
0.191
DRR-SHR-2ae5ab8c-9
0.191
MAR-LAB-efb042c5-1
0.191
MAR-TRE-92684b97-56
0.190
GAB-REV-70cc3ca5-4
0.189
LIL-FNM-c6f69784-1
0.187
ALP-POS-3b848b35-3
0.187
ALP-POS-c3a96089-1
0.186
ALP-POS-25b4df59-2
0.186
WIL-UNI-d4749f31-42
0.186
MAR-TRE-74c6519b-73
0.186
MAT-POS-b5746674-70
0.186
RAL-THA-2d450e86-13
0.185
MAR-TRE-04c86cea-80
0.184
MAR-TRE-f6f5f473-23
0.184
MAR-TRE-85681e92-59
0.183
ALP-POS-bad7201a-9
0.183
CHO-MSK-00c5269a-1
0.183
JAN-GHE-1d98ec1c-10
0.182
MAR-TRE-92684b97-71
0.182
DAR-DIA-8e329c92-1
0.182
MAR-TRE-ebcc4ad6-45
0.182
UNK-UNK-2ede4078-100
0.181
WIL-UNI-2a57d06c-23
0.181
WAR-XCH-bdd24732-17
0.181
CAS-DEP-751a2458-2
0.181
MAT-POS-590ac91e-18
0.181
MAK-UNK-3f402c2b-4
0.181
MAR-TRE-a9136c7b-23
0.180
MAR-TRE-c8530538-26
0.180
MAK-UNK-acefcb18-23
0.180
WIL-UNI-d4749f31-41
0.179
MAR-TRE-c317dd82-16
0.179
BAR-COM-5694a99d-2
0.179