Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1ccc(F)cc1 |
MW: | 278.286 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.85 |
cLogP: | 3.665 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-5
0.763
DRV-DNY-ae159ed1-11
0.759
DRV-DNY-ae159ed1-3
0.733
DRV-DNY-ae159ed1-6
0.733
DRV-DNY-ae159ed1-4
0.733
DRV-DNY-ae159ed1-13
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-ae159ed1-16
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
0.500
MAR-TRE-66ac689e-39
0.280
DRV-DNY-5c7d8ee8-1
0.266
DRV-DNY-3e405af9-9
0.255
DAV-IMP-59dd6621-12
0.254
MAR-TRE-aca67d11-18
0.253
MAR-TRE-8a25d817-13
0.253
RED-RED-10c9212c-30
0.245
DAV-IMP-59dd6621-11
0.234
AAR-UNI-c25c2f1e-79
0.229
LIL-FNM-97d58b1d-1
0.224
MAR-TRE-92684b97-15
0.218
MAR-LAB-ff9967db-7
0.216
MAR-TRE-92684b97-98
0.215
MAR-TRE-9d18ae8c-7
0.215
AAR-POS-fca48359-2
0.214
MAR-TRE-92684b97-65
0.213
DAV-IMP-59dd6621-10
0.212
DRR-IMP-db50bf6e-1
0.211
MAR-TRE-92684b97-49
0.210
MAR-TRE-f6f5f473-33
0.210
MAR-TRE-66ac689e-58
0.207
DRV-DNY-5c7d8ee8-2
0.207
GAB-REV-df64cf17-21
0.204
DRA-CSI-57d71107-2
0.200
ALP-POS-3b848b35-3
0.200
MAT-POS-162a9720-10
0.200
MAT-POS-ea426761-100
0.200
MAK-UNK-a7b37c5e-5
0.200
MAR-TRE-aca67d11-28
0.200
DRA-CSI-3ab97369-16
0.200
WIL-UNI-5578df48-1
0.200
DRA-CSI-3ab97369-9
0.198
KEI-TRE-d5e2018a-62
0.198
MAR-TRE-f6f5f473-79
0.198
MAR-TRE-3e4e6814-66
0.198
BEN-DND-93268d01-5
0.198
WIL-UNI-5578df48-7
0.198
MAR-TRE-ebcc4ad6-45
0.197
MAK-UNK-e0fdfe28-1
0.197
MAR-TRE-74c6519b-70
0.196
MAR-TRE-9d18ae8c-12
0.196
MAR-TRE-f5c2d31c-91
0.196
NAU-LAT-64f4b287-7
0.195
CAS-DEP-751a2458-6
0.195
MAR-TRE-f6f5f473-67
0.194
WIL-UNI-5578df48-34
0.194
GAB-REV-70cc3ca5-9
0.194
MAR-TRE-66ac689e-42
0.193
MAR-TRE-8a25d817-24
0.193
RAL-THA-2d450e86-7
0.193
DAV-UNK-d94803a2-1
0.193
ISA-SCH-8e98219b-1
0.192
MAR-TRE-4b834d9a-54
0.192
ALF-EVA-ced740bd-4
0.192
UNK-UNK-2ede4078-83
0.192
ALP-UNI-ed5cdfd2-2
0.192
DRA-CSI-7ec17797-7
0.190
DRA-CSI-7ec17797-10
0.190
FOC-CAS-e3a94da8-2
0.190
UNK-UNK-2ede4078-37
0.190
JON-UIO-d041ac75-2
0.190
MAR-TRE-9d18ae8c-8
0.189
MAT-POS-fa06b69f-3
0.189
TAT-ENA-80bfd3e5-4
0.189
MAR-TRE-66ac689e-85
0.189
MAR-TRE-66ac689e-86
0.188
MAR-TRE-799db12b-85
0.188
MAR-TRE-7f7bb9f0-78
0.188
DAR-DIA-0d514e7d-13
0.188
MAR-TRE-67513f76-62
0.187
MAR-TRE-a9136c7b-34
0.187
MAR-TRE-66ac689e-94
0.187
MAR-TRE-6c5ef77a-66
0.187
KEI-TRE-d5e2018a-42
0.187
LIL-FNM-c6f69784-1
0.187
AAR-UNI-c25c2f1e-83
0.186
MAR-TRE-3e4e6814-73
0.186
MAR-TRE-7f7bb9f0-56
0.186
MAR-TRE-04c86cea-71
0.186
ALV-UNI-7ff1a6f9-19
0.185
WIL-UNI-1faa9b10-16
0.185