Molecular Properties | |
SMILES: | C=C(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 349.09 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 39.19 |
cLogP: | 5.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter44_michael_acceptor2
Ketone
VLA-UCB-1dbca3b4-15
FRA-DIA-a1f3a927-1
1.000
MAT-POS-b3e365b9-1
0.571
MAT-POS-f7918075-1
0.571
VLA-UCB-1dbca3b4-15
0.571
MAT-POS-b3e365b9-2
0.571
DAR-DIA-6a508060-1
0.565
ALF-EVA-a24cc7ce-6
0.559
ALF-EVA-5b152d2f-4
0.553
DAR-DIA-6a508060-2
0.548
MAK-UNK-3875bbc8-2
0.543
WIL-UCB-7ba4ac3a-2
0.543
DAR-DIA-5ff57136-15
0.540
PET-UNK-064639eb-3
0.536
PET-UNK-064639eb-6
0.536
VLA-UCB-05e51b3f-4
0.531
VLA-UCB-50c39ae8-1
0.531
JOH-UNI-ea72002d-6
0.529
VLA-UCB-50c39ae8-7
0.525
VLA-UCB-05e51b3f-10
0.525
MAT-POS-090737b9-1
0.525
NIR-WEI-acbd6416-1
0.521
DAR-DIA-5ff57136-18
0.520
VLA-UCB-34f3ed0c-1
0.520
VLA-UCB-50c39ae8-6
0.515
VLA-UCB-05e51b3f-9
0.515
VLA-UNK-5c5a631c-3
0.515
JAG-UCB-c61058a9-36
0.511
DAR-DIA-5ff57136-11
0.510
JOH-UNI-ea72002d-7
0.510
DAR-DIA-5ff57136-14
0.505
DAR-DIA-5ff57136-10
0.505
VLA-UNK-5c5a631c-2
0.505
JOH-UNI-ea72002d-1
0.505
JOH-UNI-ea72002d-3
0.505
VLA-UCB-34f3ed0c-20
0.500
DAR-DIA-5ff57136-13
0.500
VLA-UNK-4b5c0188-1
0.500
DAR-DIA-5ff57136-16
0.495
VLA-UCB-34f3ed0c-19
0.490
ALF-EVA-5b152d2f-1
0.490
DAR-DIA-5ff57136-17
0.486
JOH-UNI-ea72002d-4
0.481
ALF-EVA-5b152d2f-6
0.480
ALP-UNI-44c99a80-3
0.477
JOH-UNI-1b27fa5e-2
0.475
ALP-UNI-44c99a80-2
0.472
ADA-UCB-dc2b944c-9
0.470
JOH-UNI-f51e3bbc-3
0.470
ADA-UCB-dc2b944c-10
0.470
EDG-MED-5d232de5-1
0.469
EDG-MED-5d232de5-2
0.469
ALP-POS-696356e4-1
0.469
ALP-POS-ce760d3f-7
0.469
MAK-UNK-83e0a0b4-3
0.468
DAR-DIA-5ff57136-12
0.468
DAR-DIA-5ff57136-9
0.468
DAR-DIA-5ff57136-19
0.468
MAT-POS-9db1e783-3
0.468
WIL-UCB-7ba4ac3a-3
0.464
VLA-UNK-5c5a631c-1
0.464
EDJ-MED-12c115cc-1
0.463
MAT-POS-f7918075-2
0.463
MAT-POS-bbbbc21a-2
0.463
EDJ-MED-12c115cc-2
0.463
JOH-UNI-f51e3bbc-4
0.456
MAK-UNK-8be7dca9-7
0.455
ALP-POS-ce760d3f-3
0.455
EDJ-MED-ba7e64f2-1
0.455
BEN-DND-4f474d93-2
0.455
BEN-DND-c852c98b-4
0.455
ERI-UCB-8d4e5055-4
0.451
PET-UNK-ee8352fa-4
0.451
BEN-DND-c852c98b-5
0.451
MAT-POS-7ddaf7de-4
0.448
VLA-UCB-05e51b3f-7
0.447
VLA-UCB-50c39ae8-4
0.447
BEN-DND-c852c98b-1
0.447
NIR-THE-2069301b-1
0.447
PET-UNK-6314f867-1
0.447
ALF-EVA-5b152d2f-2
0.446
PET-UNK-158bee2a-5
0.443
VLA-UNK-0ffe3317-7
0.443
RAL-THA-b9d6aec1-3
0.442
EDJ-MED-eff36d94-1
0.441
ALP-POS-ce760d3f-4
0.441
MAT-POS-11b63608-1
0.440
VLA-UNK-58704097-1
0.439
MAT-POS-afb6844f-2
0.439
MAT-POS-8293a91a-3
0.437
NIR-THE-47736cde-1
0.437
BEN-DND-c852c98b-3
0.437
ALP-POS-82da25a3-2
0.437
MAT-POS-f9802937-7
0.437
NIR-THE-47736cde-2
0.437
MAT-POS-e69ad64a-2
0.437
BEN-DND-a7517465-5
0.436
BEN-DND-a7517465-2
0.436
ALF-EVA-a24cc7ce-2
0.434
RAL-THA-b9d6aec1-1
0.434
RAL-THA-b9d6aec1-2
0.434