Molecular Properties | |
SMILES: | O=C(c1c[nH]cn1)N(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 432.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.18 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
VLA-UCB-50c39ae8-1
0.725
VLA-UCB-05e51b3f-4
0.725
VLA-UCB-34f3ed0c-19
0.719
VLA-UCB-05e51b3f-9
0.702
VLA-UCB-50c39ae8-6
0.702
MAT-POS-090737b9-1
0.695
VLA-UCB-50c39ae8-7
0.695
VLA-UCB-05e51b3f-10
0.695
VLA-UNK-5c5a631c-3
0.680
DAR-DIA-5ff57136-11
0.673
VLA-UCB-34f3ed0c-1
0.667
WIL-UCB-7ba4ac3a-2
0.649
MAK-UNK-3875bbc8-2
0.649
VLA-UCB-05e51b3f-7
0.636
VLA-UCB-50c39ae8-4
0.636
MAT-POS-9db1e783-3
0.635
DAR-DIA-5ff57136-9
0.635
DAR-DIA-5ff57136-19
0.635
PET-UNK-064639eb-6
0.622
PET-UNK-064639eb-3
0.622
DAR-DIA-5ff57136-14
0.620
VLA-UNK-4b5c0188-1
0.614
DAR-DIA-5ff57136-18
0.604
DAR-DIA-5ff57136-13
0.598
ALP-UNI-44c99a80-2
0.594
JOH-UNI-ea72002d-7
0.592
DAR-DIA-5ff57136-15
0.592
DAR-DIA-5ff57136-16
0.592
JOH-UNI-ea72002d-1
0.587
VLA-UNK-5c5a631c-2
0.587
DAR-DIA-5ff57136-10
0.587
JOH-UNI-ea72002d-6
0.581
DAR-DIA-5ff57136-17
0.581
MAK-UNK-83e0a0b4-3
0.573
DAR-DIA-5ff57136-12
0.573
ALP-UNI-44c99a80-3
0.570
VLA-UNK-5c5a631c-1
0.569
MAT-POS-b3e365b9-2
0.530
VLA-UCB-1dbca3b4-15
0.530
MAT-POS-b3e365b9-1
0.530
MAT-POS-f7918075-1
0.530
NIR-THE-2069301b-1
0.529
MAT-POS-e69ad64a-2
0.519
NIR-THE-47736cde-1
0.519
NIR-THE-47736cde-2
0.519
NIR-THE-af15c15d-1
0.519
NIR-WEI-acbd6416-2
0.500
ALF-EVA-5b152d2f-4
0.500
FRA-DIA-a1f3a927-1
0.500
DAR-DIA-6a508060-1
0.495
DAR-DIA-6a508060-2
0.495
ALF-EVA-a24cc7ce-2
0.490
ADA-UCB-dc2b944c-10
0.481
MAK-UNK-3875bbc8-1
0.481
DAR-DIA-b4e9dd8d-1
0.478
DAR-DIA-b4e9dd8d-3
0.478
DAR-DIA-b4e9dd8d-6
0.478
ALF-EVA-5b152d2f-1
0.458
JOH-UNI-1b27fa5e-2
0.458
ADA-UCB-dc2b944c-9
0.454
JOH-UNI-f51e3bbc-3
0.454
EDG-MED-5d232de5-2
0.453
EDG-MED-5d232de5-1
0.453
ALP-POS-ce760d3f-7
0.453
ALP-POS-696356e4-1
0.453
JOH-UNI-ea72002d-4
0.452
NIR-THE-5be8b355-1
0.451
JOH-UNI-21fd6073-3
0.450
ALF-EVA-5b152d2f-6
0.450
ALF-EVA-a24cc7ce-6
0.449
JOH-UNI-ea72002d-3
0.447
ALP-POS-6d96567b-2
0.443
DAR-DIA-5ff57136-2
0.442
DAR-DIA-5ff57136-1
0.442
MAK-UNK-3875bbc8-3
0.442
BEN-DND-d1eb1f41-17
0.441
JOH-UNI-f51e3bbc-4
0.441
EDJ-MED-12c115cc-1
0.433
EDJ-MED-12c115cc-2
0.433
MAT-POS-bbbbc21a-2
0.433
MAT-POS-f7918075-2
0.433
ALP-POS-a0a4abd7-7
0.426
EDJ-MED-ba7e64f2-1
0.426
ALP-POS-ce760d3f-3
0.426
BEN-DND-4f474d93-2
0.426
BEN-DND-c852c98b-4
0.426
MAT-POS-e69ad64a-1
0.425
WIL-UCB-7ba4ac3a-3
0.421
LON-WEI-0a73fcb8-5
0.420
PET-UNK-064639eb-1
0.420
PET-UNK-064639eb-4
0.420
BEN-DND-c852c98b-1
0.420
BEN-DND-c852c98b-7
0.420
ALP-POS-a0a4abd7-8
0.419
MAK-UNK-8be7dca9-9
0.418
ALF-EVA-5b152d2f-2
0.418
PET-UNK-03fd2068-1
0.418
ALP-POS-a0a4abd7-9
0.417
JOH-UNI-21fd6073-4
0.417
RAL-THA-05e671eb-4
0.417