Molecular Properties | |
SMILES: | O=C(C1CCOc2ccc(Cl)cc21)C(c1cncc2ccccc12)N1C(=O)C=CC1=O |
MW: | 432.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 76.57 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
maleimide_etc
phthalimide
Activated double bonds (2)
Ketones
Filter79_maleimide
Ketone
vinyl michael acceptor1
JOH-UNI-ea72002d-4
0.523
JOH-UNI-ea72002d-1
0.519
DAR-DIA-6a508060-2
0.515
WIL-UCB-7ba4ac3a-2
0.510
MAK-UNK-3875bbc8-2
0.510
MAT-POS-b3e365b9-1
0.505
VLA-UCB-1dbca3b4-15
0.505
MAT-POS-f7918075-1
0.505
MAT-POS-b3e365b9-2
0.505
NIR-WEI-acbd6416-2
0.505
FRA-DIA-a1f3a927-1
0.505
DAR-DIA-6a508060-1
0.500
ALF-EVA-5b152d2f-4
0.490
VLA-UCB-05e51b3f-4
0.486
VLA-UCB-50c39ae8-1
0.486
MAT-POS-090737b9-1
0.481
VLA-UCB-05e51b3f-10
0.481
VLA-UCB-50c39ae8-7
0.481
DAR-DIA-5ff57136-14
0.477
PET-UNK-064639eb-3
0.477
PET-UNK-064639eb-6
0.477
VLA-UNK-5c5a631c-3
0.473
DAR-DIA-5ff57136-13
0.473
VLA-UCB-05e51b3f-9
0.472
VLA-UCB-50c39ae8-6
0.472
JOH-UNI-ea72002d-7
0.468
DAR-DIA-5ff57136-11
0.468
DAR-DIA-5ff57136-16
0.468
VLA-UCB-34f3ed0c-1
0.464
VLA-UNK-5c5a631c-2
0.464
DAR-DIA-5ff57136-10
0.464
DAR-DIA-5ff57136-18
0.464
JOH-UNI-ea72002d-6
0.460
VLA-UNK-4b5c0188-1
0.459
DAR-DIA-5ff57136-15
0.455
VLA-UCB-34f3ed0c-19
0.451
VLA-UCB-34f3ed0c-20
0.447
DAR-DIA-5ff57136-17
0.447
MAT-POS-9db1e783-3
0.444
ADA-UCB-dc2b944c-9
0.444
ADA-UCB-dc2b944c-10
0.444
JOH-UNI-f51e3bbc-3
0.444
DAR-DIA-5ff57136-9
0.444
DAR-DIA-5ff57136-19
0.444
VLA-UNK-5c5a631c-1
0.441
ALP-UNI-44c99a80-3
0.440
ALP-UNI-44c99a80-2
0.436
ALF-EVA-5b152d2f-1
0.435
JOH-UNI-1b27fa5e-2
0.435
MAK-UNK-83e0a0b4-3
0.433
DAR-DIA-5ff57136-12
0.433
JOH-UNI-f51e3bbc-4
0.432
EDJ-MED-ba7e64f2-1
0.430
BEN-DND-4f474d93-2
0.430
BEN-DND-c852c98b-4
0.430
ALP-POS-ce760d3f-3
0.430
ALF-EVA-5b152d2f-6
0.427
VLA-UCB-05e51b3f-7
0.426
VLA-UCB-50c39ae8-4
0.426
BEN-DND-c852c98b-7
0.423
MAK-UNK-8be7dca9-7
0.418
EDG-MED-5d232de5-1
0.417
EDG-MED-5d232de5-2
0.417
ALP-POS-ce760d3f-7
0.417
ALP-POS-696356e4-1
0.417
MAT-POS-f9802937-7
0.414
BEN-DND-c852c98b-3
0.414
ALF-EVA-a24cc7ce-6
0.413
ALF-EVA-a24cc7ce-2
0.411
WIL-UCB-7ba4ac3a-3
0.411
BEN-DND-c852c98b-1
0.411
EDJ-MED-12c115cc-2
0.410
MAT-POS-f7918075-2
0.410
MAT-POS-bbbbc21a-2
0.410
EDJ-MED-12c115cc-1
0.410
ALF-EVA-5b152d2f-2
0.409
JOH-SUS-a69c159d-3
0.409
PET-UNK-b1ef24dc-5
0.407
RAL-THA-b9d6aec1-3
0.407
EDJ-MED-ba7e64f2-3
0.405
BEN-DND-c852c98b-6
0.404
MAT-POS-8293a91a-3
0.402
ERI-UCB-8d4e5055-4
0.402
BEN-DND-c852c98b-5
0.402
ALP-POS-82da25a3-2
0.402
PET-UNK-ee8352fa-4
0.402
VLA-UNK-0ffe3317-1
0.398
MAK-UNK-8be7dca9-9
0.396
JOH-UNI-1b27fa5e-3
0.396
NAU-LAT-64bf4c5d-2
0.396
ALF-EVA-5b152d2f-7
0.395
MAK-UNK-8be7dca9-8
0.395
JOH-SUS-a69c159d-6
0.394
ALP-POS-ce760d3f-2
0.394
BEN-DND-4f474d93-1
0.394
BEN-DND-4f474d93-3
0.394
MAT-POS-419aafdb-2
0.393
EDJ-MED-eff36d94-1
0.393
ALP-POS-ce760d3f-4
0.393
RAL-THA-05e671eb-6
0.393