Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)[C@@H]1COc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 378.08 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 4.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
NIR-THE-47736cde-2
1.000
NIR-THE-47736cde-1
1.000
DAR-DIA-b4e9dd8d-1
0.747
DAR-DIA-b4e9dd8d-6
0.747
DAR-DIA-b4e9dd8d-3
0.747
VLA-UCB-50c39ae8-7
0.739
MAT-POS-090737b9-1
0.739
VLA-UCB-05e51b3f-10
0.739
NIR-THE-2069301b-1
0.736
NIR-THE-af15c15d-1
0.700
ALF-EVA-a24cc7ce-2
0.674
DAR-DIA-5ff57136-2
0.667
DAR-DIA-5ff57136-1
0.667
JOH-UNI-21fd6073-3
0.611
DAR-DIA-5ff57136-11
0.608
MAT-POS-e69ad64a-1
0.594
VLA-UCB-50c39ae8-1
0.568
VLA-UCB-05e51b3f-4
0.568
VLA-UCB-05e51b3f-9
0.567
VLA-UCB-50c39ae8-6
0.567
MAT-POS-9db1e783-3
0.558
JOH-UNI-21fd6073-4
0.558
DAR-DIA-5ff57136-9
0.558
DAR-DIA-5ff57136-19
0.558
VLA-UNK-5c5a631c-3
0.550
EDJ-MED-12c115cc-1
0.549
MAT-POS-f7918075-2
0.549
MAT-POS-bbbbc21a-2
0.549
EDJ-MED-12c115cc-2
0.549
VLA-UCB-34f3ed0c-1
0.539
VLA-UCB-34f3ed0c-19
0.539
JOH-UNI-ea72002d-6
0.519
VLA-UCB-34f3ed0c-20
0.519
WIL-UCB-7ba4ac3a-2
0.515
MAK-UNK-3875bbc8-2
0.515
DAR-DIA-5ff57136-7
0.515
PET-UNK-064639eb-3
0.510
PET-UNK-064639eb-6
0.510
DAR-DIA-5ff57136-14
0.510
JOH-UNI-21fd6073-1
0.504
JOH-UNI-21fd6073-2
0.496
VLA-UNK-4b5c0188-1
0.490
JOH-UNI-ea72002d-7
0.486
DAR-DIA-5ff57136-10
0.481
VLA-UNK-5c5a631c-2
0.481
DAR-DIA-5ff57136-18
0.481
VLA-UCB-05e51b3f-7
0.478
VLA-UCB-50c39ae8-4
0.478
DAR-DIA-5ff57136-13
0.476
PET-UNK-e8c7a26f-1
0.473
DAR-DIA-b4e9dd8d-5
0.472
DAR-DIA-b4e9dd8d-2
0.472
DAR-DIA-b4e9dd8d-4
0.472
DAR-DIA-5ff57136-16
0.472
DAR-DIA-5ff57136-15
0.472
JOH-UNI-ea72002d-1
0.467
ALP-UNI-44c99a80-2
0.464
DAR-DIA-5ff57136-17
0.463
MAK-UNK-83e0a0b4-3
0.460
DAR-DIA-5ff57136-12
0.460
MAR-UCB-6ab2ec87-5
0.459
ALP-UNI-44c99a80-3
0.455
VLA-UCB-05e51b3f-16
0.454
DAR-DIA-076fb6ea-1
0.454
MAT-POS-f7918075-1
0.450
VLA-UCB-1dbca3b4-15
0.450
MAT-POS-b3e365b9-2
0.450
MAT-POS-b3e365b9-1
0.450
DAR-DIA-6a508060-1
0.446
VLA-UNK-5c5a631c-1
0.442
DAR-DIA-5ff57136-5
0.442
NIR-WEI-acbd6416-2
0.437
ALF-EVA-5b152d2f-1
0.437
FRA-DIA-a1f3a927-1
0.437
ALF-EVA-5b152d2f-4
0.437
MAT-POS-e69ad64a-3
0.429
ADA-UCB-dc2b944c-13
0.427
MAT-POS-2e8b2191-3
0.427
MAT-POS-2e8b2191-2
0.427
EDJ-MED-e4b030d8-11
0.427
MAT-POS-8a69d52e-4
0.427
MAT-POS-8a69d52e-5
0.427
ADA-UCB-dc2b944c-14
0.427
BRU-THA-01b12488-1
0.427
MAT-POS-8a69d52e-6
0.427
MAT-POS-8a69d52e-7
0.427
ADA-UCB-dc2b944c-16
0.427
ALF-EVA-ced740bd-4
0.424
MAT-POS-8a69d52e-2
0.423
EDJ-MED-e4b030d8-3
0.423
ALP-POS-d3acb8cc-1
0.423
MAT-POS-8a69d52e-3
0.423
EDJ-MED-e4b030d8-2
0.423
ALP-POS-d3acb8cc-4
0.423
MAT-POS-8a69d52e-1
0.423
ALP-POS-d3acb8cc-2
0.423
ALP-POS-d3acb8cc-3
0.423
BEN-BAS-5c03e89e-1
0.419
MAK-UNK-8be7dca9-10
0.419
VLA-UCB-1dbca3b4-16
0.417