Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)[C@H]1c2cc(Cl)ccc2OC[C@@H]1C)c1cnccc1C |
MW: | 370.11 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 3.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
DAR-DIA-5ff57136-4
1.000
DAR-DIA-5ff57136-1
0.617
DAR-DIA-5ff57136-2
0.617
DAR-DIA-5ff57136-8
0.469
DAR-DIA-5ff57136-6
0.396
DAR-DIA-076fb6ea-2
0.389
MAT-POS-e69ad64a-2
0.387
NIR-THE-47736cde-1
0.387
NIR-THE-47736cde-2
0.387
EDJ-MED-e4b030d8-11
0.385
MAT-POS-8a69d52e-4
0.385
BRU-THA-01b12488-1
0.385
ADA-UCB-dc2b944c-13
0.385
MAT-POS-8a69d52e-7
0.385
ADA-UCB-dc2b944c-14
0.385
MAT-POS-8a69d52e-5
0.385
MAT-POS-8a69d52e-6
0.385
EDG-MED-fe7487f8-2
0.373
EDG-MED-4b32601a-1
0.373
MAT-POS-090737b9-1
0.364
VLA-UCB-50c39ae8-7
0.364
VLA-UCB-05e51b3f-10
0.364
DAR-DIA-6a508060-6
0.356
BRU-CON-c4e3408a-1
0.356
MAT-POS-b3e365b9-4
0.356
JAN-GHE-f4ca5a00-13
0.356
MAT-POS-b3e365b9-3
0.356
ERI-UCB-5b47150d-5
0.341
CHE-UNK-1fcbaeee-4
0.336
DAR-DIA-076fb6ea-7
0.333
JAG-UCB-a3ef7265-3
0.324
DAR-DIA-5ff57136-11
0.319
TRY-UNI-69298daf-1
0.318
JOH-UNI-a38a7bdd-7
0.318
JOH-UNI-ea72002d-6
0.314
DAR-DIA-bd041b9b-13
0.311
MAK-UNK-919546f0-1
0.311
MAK-UNK-f481d203-1
0.311
MAK-UNK-f481d203-2
0.311
EDJ-MED-e9694d2b-1
0.311
ERI-UCB-9c7ec71b-2
0.311
DAR-DIA-56cf811e-6
0.311
JAN-GHE-d851b096-1
0.311
PAU-WIS-d4065696-1
0.309
DAR-DIA-bd041b9b-22
0.309
DAR-DIA-56cf811e-2
0.307
ALF-EVA-a24cc7ce-2
0.306
JOH-UNI-a38a7bdd-9
0.305
DAR-DIA-076fb6ea-14
0.304
EDJ-MED-e4b030d8-6
0.304
BEN-BAS-5c03e89e-1
0.304
TRY-UNI-69298daf-2
0.302
ALF-EVA-5b152d2f-6
0.301
MAK-UNK-8be7dca9-3
0.301
DAR-DIA-bd041b9b-30
0.301
DAR-DIA-b4e9dd8d-3
0.300
DAR-DIA-b4e9dd8d-6
0.300
DAR-DIA-b4e9dd8d-1
0.300
CHE-UNK-3dacc16b-3
0.299
LON-WEI-0a73fcb8-7
0.299
DAR-DIA-56cf811e-4
0.299
NIR-THE-2069301b-1
0.298
PET-UNK-bbe8d7ff-1
0.297
LON-WEI-0a73fcb8-5
0.297
DAR-DIA-076fb6ea-13
0.296
MAT-POS-afb6844f-2
0.296
DAR-DIA-076fb6ea-4
0.296
MAT-POS-500f4700-1
0.296
DAR-DIA-bd041b9b-11
0.296
MAT-POS-a3f7f96a-2
0.295
DAR-DIA-bd041b9b-1
0.295
JAG-UCB-c61058a9-5
0.294
JOH-UNI-a38a7bdd-3
0.294
ALF-EVA-a24cc7ce-1
0.294
ALF-EVA-a24cc7ce-8
0.294
JOH-UNI-a38a7bdd-8
0.294
MAT-POS-e69ad64a-1
0.293
JAG-UCB-c61058a9-29
0.292
JAN-GHE-299e5c7e-4
0.292
BAR-COM-ebf5acce-13
0.291
TAT-ENA-0e28ea53-1
0.290
MAT-POS-7ddaf7de-4
0.290
MAT-POS-b5c94171-1
0.290
JAN-GHE-83b26c96-15
0.289
EDG-MED-0da5ad92-1
0.289
JAG-UCB-c61058a9-14
0.288
PET-UNK-158bee2a-7
0.288
RAL-THA-9041a04d-5
0.288
MAK-UNK-3875bbc8-2
0.286
BAR-COM-ebf5acce-1
0.286
DAR-DIA-5ff57136-15
0.286
VLA-UCB-05e51b3f-3
0.286
JOH-UNI-ea72002d-7
0.286
WIL-UCB-7ba4ac3a-2
0.286
MAR-UCB-6ab2ec87-5
0.284
AUS-WAB-916db9c0-1
0.283
JAG-UCB-c61058a9-23
0.283
BAR-COM-ebf5acce-15
0.283
DAR-DIA-5ff57136-19
0.282
MAT-POS-9db1e783-3
0.282