Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1nncn1C1CC1 |
MW: | 372.1 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 77.32 |
cLogP: | 2.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
LON-WEI-b8d98729-43
PAU-WIS-d4065696-2
0.698
ERI-UCB-9c7ec71b-3
0.671
JAG-UCB-a3ef7265-20
0.489
JAG-UCB-119787ef-1
0.489
MAT-POS-968e8d9c-1
0.489
VLA-UCB-05e51b3f-10
0.485
MAT-POS-090737b9-1
0.485
VLA-UCB-50c39ae8-7
0.485
JAG-UCB-c61058a9-36
0.468
ERI-UCB-9c7ec71b-4
0.463
RAL-THA-3d7a794f-1
0.453
PET-UNK-3e029fdc-1
0.453
ADA-UCB-b1b30a00-7
0.450
ROB-UNI-569bc02e-1
0.450
ERI-UCB-a38d41be-1
0.449
EDG-MED-fe7487f8-8
0.448
NAU-LAT-8502cac5-15
0.442
JAG-UCB-c61058a9-21
0.442
LON-WEI-0a73fcb8-5
0.440
RAL-THA-b74298ba-1
0.436
JOH-UNI-d0d90dc1-3
0.433
RAL-THA-b74298ba-3
0.427
EDG-MED-fe7487f8-9
0.427
NAU-LAT-8502cac5-11
0.427
ANT-OPE-3d7cb11b-2
0.426
JAG-UCB-c61058a9-22
0.423
LON-WEI-0a73fcb8-1
0.423
JAG-UCB-52b62a6f-2
0.422
RAL-THA-3d7a794f-4
0.421
JAN-GHE-f4ca5a00-22
0.418
LON-WEI-0a73fcb8-2
0.418
DAR-DIA-5ff57136-11
0.417
EDG-MED-fe7487f8-15
0.417
DAR-DIA-6a508060-14
0.417
RAL-THA-9041a04d-5
0.416
RAL-THA-04c5403f-1
0.416
RAL-THA-b74298ba-2
0.414
EDJ-MED-51d3200d-4
0.414
DAR-DIA-6a508060-15
0.412
MAT-UCB-70f7c0f7-6
0.412
RAL-THA-04c5403f-2
0.412
EDJ-MED-97c1bf5c-4
0.411
JAG-UCB-c61058a9-18
0.411
MIC-UNK-deda7a44-5
0.411
NAU-LAT-8502cac5-2
0.411
EDJ-MED-fb4b7746-1
0.410
MAT-POS-2bb0cf2b-2
0.410
RAL-THA-9041a04d-4
0.408
JAG-UCB-c61058a9-32
0.408
MAT-POS-a54ce14d-1
0.408
VLA-UNK-5c5a631c-3
0.407
RAL-THA-b74298ba-4
0.406
EDJ-MED-51d3200d-3
0.406
JAN-GHE-f4ca5a00-1
0.406
JAG-UCB-c61058a9-44
0.404
ERI-UCB-9c7ec71b-2
0.404
EDJ-MED-e9694d2b-1
0.404
VLA-UCB-50c39ae8-1
0.404
VLA-UCB-05e51b3f-4
0.404
JAG-UCB-52b62a6f-11
0.400
VLA-UCB-34f3ed0c-1
0.400
MAK-UNK-3875bbc8-2
0.398
WIL-UCB-7ba4ac3a-2
0.398
EDG-MED-fe7487f8-14
0.398
ALP-POS-8b8a49e1-3
0.398
PET-UNK-064639eb-6
0.396
PET-UNK-064639eb-3
0.396
MAT-POS-a2421bb6-4
0.396
MIC-UNK-13557a72-2
0.396
MAT-POS-9db1e783-3
0.395
DAR-DIA-5ff57136-9
0.395
JOH-UNI-1b27fa5e-7
0.394
NAU-LAT-64bf4c5d-2
0.394
VLA-UCB-05e51b3f-9
0.393
VLA-UCB-50c39ae8-6
0.393
JAN-GHE-f4ca5a00-21
0.390
NAU-LAT-64bf4c5d-1
0.390
ALP-POS-8b8a49e1-2
0.390
ALP-POS-8b8a49e1-4
0.388
VLA-UCB-34f3ed0c-19
0.387
RAL-THA-3d7a794f-2
0.386
RAL-THA-3d7a794f-3
0.386
ALP-POS-8b8a49e1-1
0.385
MIC-UNK-42806bd5-3
0.385
MIC-UNK-fc94cdb5-2
0.385
DAR-DIA-5ff57136-14
0.385
ADA-UCB-b1b30a00-6
0.385
RAL-THA-9041a04d-3
0.385
LON-WEI-0a73fcb8-4
0.385
JOH-UNI-ea72002d-6
0.384
NAU-LAT-8502cac5-16
0.384
JAG-UCB-c61058a9-41
0.384
DAR-DIA-5ff57136-19
0.383
JAG-UCB-52b62a6f-1
0.381
DAR-DIA-6a508060-16
0.381
JAG-UCB-52b62a6f-3
0.381
MAT-POS-7ddaf7de-4
0.380
MIC-UNK-42806bd5-4
0.379
NAU-LAT-8502cac5-10
0.378
EDG-MED-fe7487f8-13
0.378