Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)[C@H]1c2cc(Cl)ccc2OC[C@@H]1C)c1cncc2ccccc12 |
MW: | 406.11 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 4.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
DAR-DIA-5ff57136-1
1.000
MAT-POS-e69ad64a-2
0.667
NIR-THE-47736cde-1
0.667
NIR-THE-47736cde-2
0.667
DAR-DIA-5ff57136-3
0.617
DAR-DIA-5ff57136-4
0.617
VLA-UCB-05e51b3f-10
0.612
MAT-POS-090737b9-1
0.612
VLA-UCB-50c39ae8-7
0.612
EDJ-MED-e4b030d8-11
0.567
BRU-THA-01b12488-1
0.567
MAT-POS-8a69d52e-7
0.567
MAT-POS-8a69d52e-4
0.567
MAT-POS-8a69d52e-5
0.567
ADA-UCB-dc2b944c-14
0.567
ADA-UCB-dc2b944c-13
0.567
MAT-POS-8a69d52e-6
0.567
DAR-DIA-5ff57136-11
0.548
DAR-DIA-b4e9dd8d-1
0.533
DAR-DIA-b4e9dd8d-3
0.533
DAR-DIA-b4e9dd8d-6
0.533
NIR-THE-2069301b-1
0.529
MAT-POS-e69ad64a-1
0.519
ALF-EVA-a24cc7ce-2
0.505
DAR-DIA-5ff57136-7
0.505
NIR-THE-af15c15d-1
0.505
VLA-UCB-05e51b3f-4
0.495
VLA-UCB-50c39ae8-1
0.495
DAR-DIA-5ff57136-9
0.491
MAT-POS-9db1e783-3
0.491
DAR-DIA-5ff57136-19
0.491
JOH-UNI-ea72002d-6
0.468
VLA-UNK-5c5a631c-3
0.468
VLA-UCB-05e51b3f-9
0.467
VLA-UCB-50c39ae8-6
0.467
BEN-BAS-5c03e89e-1
0.467
JOH-UNI-21fd6073-3
0.463
EDJ-MED-e4b030d8-6
0.463
ALF-EVA-5b152d2f-6
0.462
MAK-UNK-8be7dca9-3
0.462
MAK-UNK-3875bbc8-2
0.462
WIL-UCB-7ba4ac3a-2
0.462
VLA-UCB-34f3ed0c-19
0.459
VLA-UCB-34f3ed0c-1
0.459
DAR-DIA-5ff57136-14
0.459
PET-UNK-e8c7a26f-1
0.449
VLA-UCB-34f3ed0c-20
0.442
DAR-DIA-b4e9dd8d-2
0.439
DAR-DIA-b4e9dd8d-4
0.439
DAR-DIA-b4e9dd8d-5
0.439
DAR-DIA-5ff57136-15
0.438
JOH-UNI-ea72002d-7
0.438
DAR-DIA-5ff57136-16
0.438
DAR-DIA-0d514e7d-34
0.437
DAR-DIA-0d514e7d-35
0.437
DAR-DIA-5ff57136-5
0.435
VLA-UNK-5c5a631c-2
0.434
VLA-UCB-50c39ae8-4
0.433
VLA-UCB-05e51b3f-7
0.433
EDJ-MED-12c115cc-2
0.431
EDJ-MED-12c115cc-1
0.431
MAT-POS-f7918075-2
0.431
MAT-POS-bbbbc21a-2
0.431
DAR-DIA-076fb6ea-1
0.431
VLA-UCB-05e51b3f-16
0.431
PET-UNK-064639eb-3
0.431
PET-UNK-064639eb-6
0.431
DAR-DIA-5ff57136-13
0.429
VLA-UNK-4b5c0188-1
0.429
DAR-DIA-0d514e7d-11
0.426
DAR-DIA-0d514e7d-8
0.426
ADA-UCB-dc2b944c-15
0.421
DAR-DIA-0d514e7d-3
0.421
DAR-DIA-5ff57136-18
0.420
JOH-UNI-21fd6073-4
0.415
DAR-DIA-5ff57136-10
0.409
JOH-UNI-ea72002d-1
0.409
MAT-POS-e69ad64a-3
0.408
JOH-UNI-ea72002d-5
0.407
ALP-UNI-44c99a80-2
0.407
DAR-DIA-5ff57136-17
0.405
DAR-DIA-5ff57136-12
0.405
MAK-UNK-83e0a0b4-3
0.405
VLA-UNK-5c5a631c-1
0.400
ALP-UNI-44c99a80-3
0.398
VLA-UCB-1dbca3b4-16
0.398
ROB-UNI-8bf7c232-1
0.394
MAT-POS-2e8b2191-2
0.394
ADA-UCB-dc2b944c-16
0.394
DAR-DIA-0d514e7d-33
0.391
JOH-UNI-21fd6073-1
0.391
MAT-POS-f7918075-1
0.389
VLA-UCB-1dbca3b4-15
0.389
MAT-POS-b3e365b9-1
0.389
DAR-DIA-0d514e7d-36
0.389
MAT-POS-b3e365b9-2
0.389
DAR-DIA-6a508060-1
0.385
JOH-UNI-21fd6073-2
0.385
EDG-MED-4b32601a-1
0.383
EDG-MED-fe7487f8-2
0.383