Molecular Properties | |
SMILES: | O=C1C=CC(=O)N1C(F)(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 450.08 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 76.57 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
maleimide_etc
phthalimide
Activated double bonds (2)
Ketones
Filter52_NC_haloamine
Filter64_halo_ketone_sulfone
Filter79_maleimide
N-C-Hal or cyano methyl
Ketone
vinyl michael acceptor1
JOH-UNI-ea72002d-3
0.523
JOH-UNI-ea72002d-1
0.509
DAR-DIA-6a508060-1
0.505
ALF-EVA-5b152d2f-4
0.495
MAT-POS-b3e365b9-2
0.495
MAT-POS-b3e365b9-1
0.495
MAT-POS-f7918075-1
0.495
VLA-UCB-1dbca3b4-15
0.495
VLA-UCB-05e51b3f-4
0.491
VLA-UCB-50c39ae8-1
0.491
DAR-DIA-6a508060-2
0.490
MAT-POS-090737b9-1
0.486
VLA-UCB-05e51b3f-10
0.486
VLA-UCB-50c39ae8-7
0.486
MAK-UNK-3875bbc8-2
0.486
WIL-UCB-7ba4ac3a-2
0.486
PET-UNK-064639eb-3
0.481
PET-UNK-064639eb-6
0.481
NIR-WEI-acbd6416-2
0.481
FRA-DIA-a1f3a927-1
0.481
VLA-UCB-05e51b3f-9
0.477
VLA-UCB-50c39ae8-6
0.477
JOH-UNI-ea72002d-7
0.473
DAR-DIA-5ff57136-11
0.473
VLA-UCB-34f3ed0c-19
0.469
DAR-DIA-5ff57136-10
0.469
DAR-DIA-5ff57136-14
0.468
DAR-DIA-5ff57136-17
0.465
VLA-UNK-5c5a631c-3
0.464
DAR-DIA-5ff57136-16
0.460
VLA-UCB-34f3ed0c-1
0.456
DAR-DIA-5ff57136-18
0.455
VLA-UCB-34f3ed0c-20
0.452
VLA-UNK-4b5c0188-1
0.451
DAR-DIA-5ff57136-13
0.451
DAR-DIA-5ff57136-15
0.447
VLA-UNK-5c5a631c-2
0.443
JOH-UNI-1b27fa5e-2
0.440
JOH-UNI-ea72002d-6
0.440
JOH-UNI-f51e3bbc-4
0.438
DAR-DIA-5ff57136-19
0.437
MAT-POS-9db1e783-3
0.437
DAR-DIA-5ff57136-9
0.437
ADA-UCB-dc2b944c-9
0.436
JOH-UNI-f51e3bbc-3
0.436
EDG-MED-5d232de5-2
0.435
ALP-POS-696356e4-1
0.435
EDG-MED-5d232de5-1
0.435
ALP-POS-ce760d3f-7
0.435
MAT-POS-8293a91a-3
0.432
ALP-UNI-44c99a80-3
0.432
VLA-UCB-05e51b3f-7
0.431
VLA-UCB-50c39ae8-4
0.431
BEN-DND-c852c98b-7
0.429
ALP-UNI-44c99a80-2
0.429
ALF-EVA-5b152d2f-1
0.427
MAK-UNK-83e0a0b4-3
0.426
ADA-UCB-dc2b944c-10
0.423
VLA-UNK-5c5a631c-1
0.421
ALF-EVA-a24cc7ce-6
0.418
BEN-DND-c852c98b-2
0.417
DAR-DIA-5ff57136-12
0.415
MAK-UNK-8be7dca9-7
0.411
ALP-POS-ce760d3f-3
0.409
BEN-DND-c852c98b-4
0.409
BEN-DND-4f474d93-2
0.409
EDJ-MED-ba7e64f2-1
0.409
BEN-DND-c852c98b-3
0.407
ALF-EVA-5b152d2f-6
0.407
BEN-DND-a7517465-5
0.405
WIL-UCB-7ba4ac3a-3
0.404
BEN-DND-c852c98b-1
0.404
MAT-POS-bbbbc21a-2
0.402
NAU-LAT-64bf4c5d-2
0.402
MAT-POS-f7918075-2
0.402
EDJ-MED-12c115cc-1
0.402
EDJ-MED-12c115cc-2
0.402
JOH-SUS-a69c159d-4
0.402
ALF-EVA-5b152d2f-2
0.402
PET-UNK-03fd2068-1
0.402
RAL-THA-05e671eb-4
0.400
MAK-UNK-8be7dca9-8
0.400
ADA-UCB-dc2b944c-7
0.400
MIC-UNK-7574fcc6-2
0.400
RAL-THA-05e671eb-6
0.398
BEN-DND-c852c98b-6
0.397
NIR-THE-af15c15d-1
0.397
NIR-THE-47736cde-2
0.395
ALP-POS-82da25a3-2
0.395
BEN-DND-c852c98b-5
0.395
MAT-POS-e69ad64a-2
0.395
MAT-POS-f9802937-7
0.395
ERI-UCB-8d4e5055-4
0.395
PET-UNK-ee8352fa-4
0.395
NIR-THE-47736cde-1
0.395
RAL-THA-b9d6aec1-1
0.393
BEN-DND-a7517465-3
0.393
BEN-DND-a7517465-2
0.393
NIR-THE-2069301b-1
0.391
BEN-DND-a7517465-11
0.391