Molecular Properties | |
SMILES: | O=C([C@@H]1CCOc2ccc(Cl)cc21)N(Cc1cnco1)c1cncc2ccccc12 |
MW: | 419.1 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 68.46 |
cLogP: | 4.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-44c99a80-2
0.745
VLA-UNK-5c5a631c-2
0.704
DAR-DIA-5ff57136-13
0.701
VLA-UNK-4b5c0188-1
0.701
DAR-DIA-5ff57136-17
0.697
VLA-UNK-5c5a631c-1
0.680
MAK-UNK-83e0a0b4-3
0.667
VLA-UCB-50c39ae8-6
0.653
VLA-UCB-05e51b3f-9
0.653
WIL-UCB-7ba4ac3a-2
0.635
MAK-UNK-3875bbc8-2
0.635
VLA-UCB-50c39ae8-1
0.622
VLA-UCB-05e51b3f-4
0.622
VLA-UNK-5c5a631c-3
0.618
PET-UNK-064639eb-3
0.610
PET-UNK-064639eb-6
0.610
DAR-DIA-5ff57136-18
0.608
MAT-POS-090737b9-1
0.598
VLA-UCB-50c39ae8-7
0.598
VLA-UCB-05e51b3f-10
0.598
DAR-DIA-5ff57136-14
0.592
VLA-UCB-34f3ed0c-19
0.590
DAR-DIA-5ff57136-10
0.590
DAR-DIA-5ff57136-11
0.581
DAR-DIA-5ff57136-15
0.581
DAR-DIA-5ff57136-16
0.581
JOH-UNI-ea72002d-7
0.581
DAR-DIA-5ff57136-9
0.578
DAR-DIA-5ff57136-19
0.578
MAT-POS-9db1e783-3
0.578
VLA-UCB-34f3ed0c-1
0.575
JOH-UNI-ea72002d-1
0.575
VLA-UCB-34f3ed0c-20
0.570
JOH-UNI-ea72002d-6
0.570
VLA-UCB-05e51b3f-7
0.566
VLA-UCB-50c39ae8-4
0.566
DAR-DIA-5ff57136-12
0.535
DAR-DIA-6a508060-1
0.529
JOH-UNI-21fd6073-3
0.523
ALP-POS-6d96567b-2
0.521
MAT-POS-b3e365b9-1
0.505
MAT-POS-f7918075-1
0.505
MAT-POS-b3e365b9-2
0.505
VLA-UCB-1dbca3b4-15
0.505
ALP-UNI-44c99a80-4
0.505
ALF-EVA-5b152d2f-4
0.491
MAK-UNK-83e0a0b4-4
0.488
DAR-DIA-6a508060-2
0.486
JOH-UNI-21fd6073-4
0.483
ALF-EVA-a24cc7ce-2
0.481
NIR-THE-5be8b355-1
0.479
FRA-DIA-a1f3a927-1
0.477
NIR-WEI-acbd6416-2
0.477
MAK-UNK-3875bbc8-1
0.472
ALP-POS-a0a4abd7-6
0.467
JOH-UNI-21fd6073-2
0.457
ALP-POS-a0a4abd7-8
0.457
ALP-POS-a0a4abd7-9
0.456
NIR-THE-af15c15d-1
0.455
NIR-THE-47736cde-1
0.455
NIR-THE-47736cde-2
0.455
MAT-POS-e69ad64a-2
0.455
JOH-UNI-21fd6073-1
0.452
NIR-THE-2069301b-1
0.450
MAK-UNK-83e0a0b4-2
0.446
ADA-UCB-dc2b944c-10
0.445
ADA-UCB-dc2b944c-9
0.445
JOH-UNI-f51e3bbc-3
0.445
DAR-DIA-b4e9dd8d-6
0.444
DAR-DIA-b4e9dd8d-1
0.444
DAR-DIA-b4e9dd8d-3
0.444
ALP-POS-a0a4abd7-7
0.442
JOH-UNI-ea72002d-3
0.440
ALF-EVA-5b152d2f-1
0.436
JOH-UNI-1b27fa5e-2
0.436
MAK-UNK-3875bbc8-3
0.434
BEN-DND-d1eb1f41-17
0.434
JOH-UNI-ea72002d-4
0.432
ALP-POS-ce760d3f-7
0.431
ALP-POS-696356e4-1
0.431
EDG-MED-5d232de5-2
0.431
EDG-MED-5d232de5-1
0.431
ALF-EVA-5b152d2f-6
0.429
MAK-UNK-8be7dca9-8
0.421
JOH-UNI-f51e3bbc-4
0.421
ALP-POS-ce760d3f-3
0.418
BEN-DND-4f474d93-2
0.418
BEN-DND-c852c98b-4
0.418
EDJ-MED-ba7e64f2-1
0.418
BEN-DND-c852c98b-5
0.416
ERI-UCB-8d4e5055-4
0.416
ALP-POS-82da25a3-2
0.416
BEN-DND-c852c98b-1
0.412
BEN-DND-c852c98b-7
0.412
LON-WEI-0a73fcb8-5
0.412
MAT-POS-bbbbc21a-2
0.411
MAT-POS-f7918075-2
0.411
EDJ-MED-12c115cc-1
0.411
EDJ-MED-12c115cc-2
0.411
JOH-UNI-1b27fa5e-3
0.411