Molecular Properties | |
SMILES: | CC(=O)N(C(=O)[C@H]1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 380.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 59.5 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
VLA-UCB-50c39ae8-1
1.000
VLA-UCB-50c39ae8-6
0.776
VLA-UCB-05e51b3f-9
0.776
VLA-UCB-05e51b3f-10
0.767
VLA-UCB-50c39ae8-7
0.767
MAT-POS-090737b9-1
0.767
VLA-UNK-5c5a631c-3
0.750
DAR-DIA-5ff57136-11
0.742
MAK-UNK-3875bbc8-2
0.738
WIL-UCB-7ba4ac3a-2
0.738
VLA-UCB-34f3ed0c-19
0.733
VLA-UCB-34f3ed0c-1
0.733
VLA-UCB-34f3ed0c-20
0.725
DAR-DIA-5ff57136-9
0.713
MAT-POS-9db1e783-3
0.713
DAR-DIA-5ff57136-19
0.713
PET-UNK-064639eb-3
0.705
PET-UNK-064639eb-6
0.705
VLA-UCB-05e51b3f-7
0.694
VLA-UCB-50c39ae8-4
0.694
DAR-DIA-5ff57136-14
0.681
DAR-DIA-5ff57136-18
0.681
DAR-DIA-5ff57136-16
0.667
VLA-UNK-5c5a631c-2
0.660
DAR-DIA-5ff57136-13
0.656
VLA-UNK-4b5c0188-1
0.656
DAR-DIA-5ff57136-15
0.649
JOH-UNI-ea72002d-7
0.649
DAR-DIA-5ff57136-10
0.642
JOH-UNI-ea72002d-1
0.642
JOH-UNI-ea72002d-6
0.635
DAR-DIA-5ff57136-17
0.635
ALP-UNI-44c99a80-2
0.633
ALP-UNI-44c99a80-3
0.622
DAR-DIA-5ff57136-12
0.608
MAK-UNK-83e0a0b4-3
0.608
VLA-UNK-5c5a631c-1
0.604
NIR-THE-af15c15d-1
0.583
VLA-UCB-1dbca3b4-15
0.582
MAT-POS-b3e365b9-1
0.582
MAT-POS-f7918075-1
0.582
MAT-POS-b3e365b9-2
0.582
NIR-THE-47736cde-2
0.568
MAT-POS-e69ad64a-2
0.568
NIR-THE-47736cde-1
0.568
NIR-THE-2069301b-1
0.562
ALF-EVA-a24cc7ce-2
0.554
ALF-EVA-5b152d2f-4
0.547
MAK-UNK-3875bbc8-1
0.543
DAR-DIA-6a508060-1
0.543
DAR-DIA-6a508060-2
0.543
DAR-DIA-b4e9dd8d-1
0.534
DAR-DIA-b4e9dd8d-3
0.534
DAR-DIA-b4e9dd8d-6
0.534
FRA-DIA-a1f3a927-1
0.531
NIR-WEI-acbd6416-2
0.531
ADA-UCB-dc2b944c-10
0.526
ALP-POS-ce760d3f-7
0.510
EDG-MED-5d232de5-2
0.510
ALP-POS-696356e4-1
0.510
EDG-MED-5d232de5-1
0.510
BEN-DND-d1eb1f41-17
0.510
ALF-EVA-5b152d2f-6
0.505
JOH-UNI-21fd6073-3
0.505
MAK-UNK-3875bbc8-3
0.500
ALF-EVA-5b152d2f-1
0.500
DAR-DIA-5ff57136-1
0.495
DAR-DIA-5ff57136-2
0.495
JOH-UNI-ea72002d-4
0.491
JOH-UNI-ea72002d-3
0.486
JOH-UNI-1b27fa5e-2
0.485
ALF-EVA-5b152d2f-2
0.485
JOH-UNI-f51e3bbc-4
0.480
ADA-UCB-dc2b944c-9
0.480
JOH-UNI-f51e3bbc-3
0.480
ALF-EVA-a24cc7ce-6
0.475
MAT-POS-bbbbc21a-2
0.474
EDJ-MED-12c115cc-1
0.474
MAT-POS-f7918075-2
0.474
EDJ-MED-12c115cc-2
0.474
PET-UNK-03fd2068-1
0.470
BEN-DND-4f474d93-3
0.469
ALP-POS-ce760d3f-2
0.469
ADA-UCB-dc2b944c-7
0.469
BEN-DND-4f474d93-1
0.469
RAL-THA-05e671eb-4
0.469
ALP-POS-ce760d3f-3
0.465
JOH-SUS-a69c159d-2
0.465
BEN-DND-4f474d93-2
0.465
BEN-DND-c852c98b-4
0.465
EDJ-MED-ba7e64f2-1
0.465
MAT-POS-e69ad64a-1
0.462
LON-WEI-0a73fcb8-5
0.462
BEN-DND-c852c98b-3
0.461
BEN-DND-c852c98b-5
0.461
ERI-UCB-8d4e5055-4
0.461
PET-UNK-ee8352fa-4
0.461
MAT-POS-f9802937-7
0.461
BEN-DND-c852c98b-7
0.456
BEN-DND-c852c98b-1
0.456