Molecular Properties | |
SMILES: | C=C(C(=O)C1CCOc2ccc(Cl)cc21)c1cncn1C1CC1 |
MW: | 328.1 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 44.12 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter44_michael_acceptor2
Ketone
RAL-THA-3d7a794f-1
0.535
PET-UNK-3e029fdc-1
0.535
FRA-DIA-a1f3a927-1
0.511
NIR-WEI-acbd6416-2
0.511
ERI-UCB-9c7ec71b-3
0.489
JAG-UCB-a3ef7265-20
0.472
JAG-UCB-119787ef-1
0.472
MAT-POS-968e8d9c-1
0.472
PAU-WIS-d4065696-1
0.468
RAL-THA-3d7a794f-4
0.466
NAU-LAT-8502cac5-11
0.456
JAG-UCB-c61058a9-22
0.451
JAN-GHE-f4ca5a00-21
0.446
JAG-UCB-c61058a9-44
0.446
ERI-UCB-9c7ec71b-4
0.446
PAU-WIS-d4065696-2
0.443
RAL-THA-9041a04d-6
0.442
RAL-THA-9041a04d-5
0.442
RAL-THA-04c5403f-1
0.442
MAT-POS-afb6844f-2
0.441
RAL-THA-3d7a794f-2
0.441
RAL-THA-3d7a794f-3
0.441
EDJ-MED-51d3200d-4
0.441
MAT-POS-b3e365b9-4
0.440
NAU-LAT-8502cac5-15
0.440
BRU-CON-c4e3408a-1
0.440
JAN-GHE-f4ca5a00-13
0.440
DAR-DIA-6a508060-6
0.440
MAT-POS-b3e365b9-3
0.440
RAL-THA-9041a04d-3
0.438
LON-WEI-0a73fcb8-4
0.438
ALP-POS-6495d03e-5
0.436
MAT-POS-7ddaf7de-4
0.435
MAT-POS-afb6844f-1
0.435
RAL-THA-9041a04d-4
0.433
MAT-POS-a54ce14d-1
0.433
ALP-POS-79636100-1
0.432
ALP-POS-902f21bb-2
0.432
EDJ-MED-51d3200d-3
0.432
ALP-POS-e2fddb0f-2
0.432
EDG-MED-fe7487f8-8
0.430
MAT-POS-d8472c4f-6
0.429
MAT-POS-14f31916-1
0.429
RAL-THA-9041a04d-7
0.424
RAL-THA-9041a04d-2
0.424
JAG-UCB-c61058a9-21
0.424
PET-UNK-158bee2a-7
0.422
LON-WEI-0a73fcb8-5
0.420
RAL-THA-9041a04d-1
0.420
TAT-ENA-0e28ea53-1
0.419
ROB-UNI-569bc02e-1
0.418
ADA-UCB-b1b30a00-7
0.418
NAU-LAT-8502cac5-10
0.418
RAL-THA-b74298ba-1
0.418
ERI-UCB-a38d41be-1
0.417
MAT-POS-afb6844f-3
0.417
ERI-UCB-9c7ec71b-2
0.415
EDJ-MED-e9694d2b-1
0.415
MAK-UNK-919546f0-1
0.415
MAK-UNK-f481d203-1
0.415
MAK-UNK-f481d203-2
0.415
JOH-UNI-d0d90dc1-3
0.415
JAN-GHE-f4ca5a00-22
0.415
EDJ-MED-51d3200d-1
0.414
EDJ-MED-51d3200d-2
0.414
EDG-MED-fe7487f8-15
0.413
ALP-POS-6495d03e-1
0.412
ALP-POS-6495d03e-4
0.412
MIC-UNK-fc94cdb5-2
0.411
ALP-POS-8b8a49e1-3
0.409
RAL-THA-b74298ba-3
0.409
EDG-MED-fe7487f8-9
0.409
NAU-LAT-8502cac5-16
0.409
JAG-UCB-c61058a9-41
0.409
MAT-POS-14f31916-5
0.408
BEN-DND-a7517465-5
0.408
ALP-POS-b3e0acc5-2
0.406
MAT-POS-a2421bb6-4
0.406
MAT-POS-2bb0cf2b-2
0.406
EDJ-MED-fb4b7746-1
0.406
BEN-DND-a7517465-11
0.406
MIC-UNK-42806bd5-4
0.404
MAT-POS-8293a91a-1
0.404
NAU-LAT-64bf4c5d-2
0.404
JOH-UNI-1b27fa5e-7
0.404
JAG-UCB-c61058a9-32
0.404
ALF-EVA-5b152d2f-2
0.404
MAT-POS-b3e365b9-1
0.402
MAT-POS-f7918075-1
0.402
RAL-THA-b74298ba-4
0.402
VLA-UCB-1dbca3b4-15
0.402
PET-UNK-b1ef24dc-7
0.402
MAT-POS-b3e365b9-2
0.402
MAT-POS-1f3c8e6f-1
0.400
JAN-GHE-f4ca5a00-23
0.400
BEN-DND-a7517465-1
0.400
NAU-LAT-b7d8c353-1
0.400
LON-WEI-0a73fcb8-7
0.400
ALP-POS-79636100-2
0.400
EDJ-MED-fb4b7746-4
0.398