Molecular Properties | |
SMILES: | O=C(CCl)N(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 414.05 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 4.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
VLA-UCB-50c39ae8-6
1.000
VLA-UNK-5c5a631c-3
0.826
VLA-UCB-05e51b3f-4
0.776
VLA-UCB-50c39ae8-1
0.776
VLA-UCB-05e51b3f-10
0.742
MAT-POS-090737b9-1
0.742
VLA-UCB-50c39ae8-7
0.742
VLA-UCB-05e51b3f-7
0.724
VLA-UCB-50c39ae8-4
0.724
DAR-DIA-5ff57136-11
0.717
VLA-UCB-34f3ed0c-1
0.710
VLA-UCB-34f3ed0c-19
0.710
VLA-UCB-34f3ed0c-20
0.702
WIL-UCB-7ba4ac3a-2
0.693
MAK-UNK-3875bbc8-2
0.693
DAR-DIA-5ff57136-19
0.691
VLA-UNK-5c5a631c-2
0.674
MAT-POS-9db1e783-3
0.673
DAR-DIA-5ff57136-9
0.673
VLA-UNK-4b5c0188-1
0.670
PET-UNK-064639eb-6
0.663
PET-UNK-064639eb-3
0.663
ALP-UNI-44c99a80-3
0.653
DAR-DIA-5ff57136-13
0.653
ALP-UNI-44c99a80-2
0.646
DAR-DIA-5ff57136-18
0.642
DAR-DIA-5ff57136-14
0.642
MAK-UNK-83e0a0b4-3
0.637
DAR-DIA-5ff57136-17
0.633
DAR-DIA-5ff57136-16
0.629
DAR-DIA-5ff57136-15
0.629
JOH-UNI-ea72002d-7
0.629
DAR-DIA-5ff57136-10
0.622
JOH-UNI-ea72002d-1
0.622
VLA-UNK-5c5a631c-1
0.618
JOH-UNI-ea72002d-6
0.616
DAR-DIA-5ff57136-12
0.590
NIR-THE-47736cde-1
0.567
NIR-THE-47736cde-2
0.567
MAT-POS-e69ad64a-2
0.567
MAT-POS-b3e365b9-2
0.564
MAT-POS-b3e365b9-1
0.564
VLA-UCB-1dbca3b4-15
0.564
MAT-POS-f7918075-1
0.564
NIR-THE-2069301b-1
0.561
NIR-THE-af15c15d-1
0.550
DAR-DIA-6a508060-1
0.542
ALF-EVA-5b152d2f-4
0.531
DAR-DIA-6a508060-2
0.526
ALF-EVA-a24cc7ce-2
0.521
DAR-DIA-b4e9dd8d-1
0.519
DAR-DIA-b4e9dd8d-6
0.519
DAR-DIA-b4e9dd8d-3
0.519
NIR-WEI-acbd6416-2
0.515
FRA-DIA-a1f3a927-1
0.515
MAK-UNK-3875bbc8-1
0.510
JOH-UNI-21fd6073-3
0.505
ADA-UCB-dc2b944c-10
0.495
ALF-EVA-5b152d2f-1
0.485
ALP-POS-ce760d3f-7
0.480
ALP-POS-696356e4-1
0.480
EDG-MED-5d232de5-1
0.480
EDG-MED-5d232de5-2
0.480
ALP-POS-6d96567b-2
0.478
JOH-UNI-ea72002d-4
0.477
ALF-EVA-5b152d2f-6
0.476
JOH-UNI-ea72002d-3
0.472
JOH-UNI-1b27fa5e-2
0.471
MAK-UNK-3875bbc8-3
0.469
DAR-DIA-5ff57136-2
0.467
DAR-DIA-5ff57136-1
0.467
BEN-DND-d1eb1f41-17
0.467
JOH-UNI-f51e3bbc-3
0.466
ADA-UCB-dc2b944c-9
0.466
JOH-UNI-21fd6073-4
0.464
NIR-THE-5be8b355-1
0.462
ALF-EVA-a24cc7ce-6
0.461
MAT-POS-f7918075-2
0.459
MAT-POS-bbbbc21a-2
0.459
EDJ-MED-12c115cc-2
0.459
EDJ-MED-12c115cc-1
0.459
MAK-UNK-83e0a0b4-4
0.458
JOH-UNI-f51e3bbc-4
0.453
BEN-DND-4f474d93-2
0.451
BEN-DND-c852c98b-4
0.451
EDJ-MED-ba7e64f2-1
0.451
ALP-POS-ce760d3f-3
0.451
ALP-POS-a0a4abd7-6
0.449
MAT-POS-e69ad64a-1
0.449
PET-UNK-6c2be958-1
0.448
VLA-UCB-05e51b3f-15
0.448
BEN-DND-c852c98b-5
0.448
ERI-UCB-8d4e5055-4
0.448
ALP-POS-82da25a3-2
0.448
BEN-DND-c852c98b-3
0.448
LON-WEI-0a73fcb8-5
0.447
BEN-DND-c852c98b-7
0.443
BEN-DND-c852c98b-1
0.443
MAK-UNK-8be7dca9-9
0.442
ALF-EVA-5b152d2f-2
0.442