Molecular Properties | |
SMILES: | O=C1OC(c2cccs2)=N/C1=C/C1CCOc2ccc(Cl)cc21 |
MW: | 345.02 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 47.89 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
ene_five_het_G(10)
MAT-POS-fa06b69f-6
DAR-DIA-8b715a25-13
0.705
DAR-DIA-8b715a25-3
0.429
DAR-DIA-8b715a25-1
0.415
DAR-DIA-8b715a25-5
0.404
DAR-DIA-8b715a25-16
0.398
DAR-DIA-8b715a25-4
0.366
DAR-DIA-8b715a25-2
0.353
DAR-DIA-8b715a25-6
0.353
DAR-DIA-8b715a25-15
0.340
VLA-UNK-0ffe3317-3
0.324
MAT-POS-fa06b69f-6
0.323
MAK-UNK-919546f0-6
0.319
VLA-UNK-0ffe3317-5
0.318
DAR-DIA-8b715a25-12
0.317
IND-SYN-6c8299e8-6
0.311
MAK-UNK-919546f0-7
0.309
PET-UNK-7f7e354d-1
0.308
NAU-LAT-28398581-7
0.307
WIL-UCB-7ba4ac3a-3
0.305
PET-UNK-b1ef24dc-8
0.302
PET-UNK-158bee2a-7
0.300
PET-UNK-158bee2a-5
0.298
VLA-UNK-0ffe3317-7
0.298
DAR-DIA-6a508060-7
0.298
LON-WEI-0a73fcb8-2
0.298
VLA-UCB-53bdeed6-3
0.298
JAG-UCB-52b62a6f-5
0.296
LON-WEI-0a73fcb8-5
0.296
NAU-LAT-64bf4c5d-6
0.292
JAG-UCB-52b62a6f-6
0.292
PET-UNK-f4e47ebd-4
0.292
EDG-MED-fe7487f8-14
0.291
VLA-UCB-53bdeed6-2
0.291
DAR-DIA-6a508060-15
0.291
JAG-UCB-52b62a6f-8
0.291
ADA-UCB-dc2b944c-9
0.291
NAU-LAT-64bf4c5d-2
0.288
LON-WEI-0a73fcb8-1
0.288
NAU-LAT-64bf4c5d-3
0.288
JOH-UNI-ea72002d-4
0.288
ALP-POS-64a6e87e-1
0.287
JAG-UCB-52b62a6f-9
0.287
ALF-EVA-ced740bd-1
0.286
VLA-UNK-0ffe3317-2
0.286
LON-WEI-0a73fcb8-6
0.286
ALP-POS-8b8a49e1-3
0.286
JAN-GHE-f4ca5a00-21
0.286
EDJ-MED-e9694d2b-1
0.286
ERI-UCB-9c7ec71b-2
0.286
JAG-UCB-52b62a6f-4
0.284
BEN-DND-a7517465-3
0.284
JAG-UCB-52b62a6f-7
0.284
BEN-DND-a7517465-2
0.284
BEN-DND-a7517465-5
0.284
RAL-THA-b74298ba-1
0.284
BEN-DND-b89db3f2-2
0.284
NAU-LAT-b7d8c353-4
0.284
RAL-THA-3d7a794f-4
0.284
NAU-LAT-8502cac5-10
0.284
NAU-LAT-28398581-6
0.283
RAL-THA-3d7a794f-3
0.283
MIC-UNK-42806bd5-4
0.283
EDJ-MED-fb4b7746-3
0.282
VLA-UCB-05e51b3f-19
0.282
VLA-UCB-05e51b3f-20
0.282
VLA-UCB-50c39ae8-12
0.282
VLA-UCB-50c39ae8-13
0.282
JAN-GHE-f4ca5a00-2
0.282
EDG-MED-0e5afe9d-2
0.282
EDG-MED-fe7487f8-15
0.282
MAT-POS-a3f7f96a-2
0.282
MIC-UNK-4c7b8ba7-2
0.282
DAR-DIA-6a508060-14
0.282
JOH-UNI-16fcdf60-1
0.282
ALP-POS-b3e0acc5-2
0.280
NAU-LAT-28398581-1
0.280
JAG-UCB-52b62a6f-12
0.279
MAT-POS-a2421bb6-2
0.279
JOH-UNI-f51e3bbc-3
0.279
BEN-DND-a7517465-1
0.279
JAG-UCB-c61058a9-21
0.279
NAU-LAT-b7d8c353-7
0.279
JAG-UCB-c61058a9-41
0.279
JAG-UCB-a3ef7265-20
0.279
MAT-POS-968e8d9c-1
0.279
JAG-UCB-119787ef-1
0.279
NAU-LAT-8502cac5-11
0.279
ERI-UCB-9c7ec71b-3
0.279
MAT-POS-a2421bb6-1
0.278
NAU-LAT-64bf4c5d-5
0.278
VLA-UCB-05e51b3f-8
0.278
VLA-UCB-50c39ae8-5
0.278
ALP-POS-e2fddb0f-2
0.278
ALP-POS-79636100-1
0.278
MIC-UNK-42806bd5-3
0.277
MIC-UNK-fc94cdb5-2
0.277
ALP-POS-8b8a49e1-1
0.277
NAU-LAT-b7d8c353-2
0.277
MIC-UNK-b12b7f76-1
0.276
MAT-POS-afb6844f-1
0.276