Molecular Properties | |
SMILES: | O=C1NCC2(COc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 379.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-34f3ed0c-12
0.742
VLA-UNK-c65c1026-2
0.634
VLA-UNK-c65c1026-4
0.626
VLA-UNK-83c3754c-1
0.609
VLA-UNK-70dd90ef-4
0.609
JAG-UCB-f37eaa14-3
0.585
VLA-UCB-50c39ae8-2
0.567
VLA-UCB-05e51b3f-5
0.567
BEN-BAS-c2bc0d80-6
0.567
MAT-POS-94643566-1
0.567
VLA-UCB-29506327-1
0.562
VLA-UNK-cf7facf1-1
0.562
VLA-UCB-34f3ed0c-11
0.562
VLA-UNK-c65c1026-5
0.551
VLA-UNK-c65c1026-1
0.551
VLA-UCB-05e51b3f-6
0.550
VLA-UCB-50c39ae8-3
0.550
VLA-UNK-83c3754c-2
0.546
YVE-CNR-7d92d73e-1
0.541
PET-UNK-eeb64427-2
0.538
PET-UNK-eeb64427-5
0.538
PET-UNK-4c71d490-1
0.518
PET-UNK-4c71d490-5
0.518
BEN-BAS-c2bc0d80-3
0.515
PET-UNK-143b31ee-2
0.513
PET-UNK-143b31ee-5
0.513
MAT-POS-90505e2b-1
0.510
MAT-POS-ec6d90b7-1
0.510
MAT-POS-ec6d90b7-2
0.510
EDJ-MED-159244ea-1
0.510
MAT-POS-983b399a-1
0.510
ALP-POS-477dc5b7-4
0.510
VLA-UNK-c65c1026-3
0.505
VLA-UNK-ba665ac8-1
0.505
PET-UNK-4c71d490-2
0.504
PET-UNK-4c71d490-6
0.504
VLA-UNK-ba665ac8-2
0.495
BEN-BAS-c2bc0d80-7
0.495
VLA-UNK-70dd90ef-1
0.495
VLA-UNK-3a43cd95-4
0.490
VLA-UNK-3a43cd95-2
0.480
VLA-UCB-34f3ed0c-15
0.478
MAT-POS-e20a5dfb-1
0.476
MAT-POS-e20a5dfb-2
0.476
ALP-POS-e0fe77e5-7
0.476
ALP-POS-477dc5b7-5
0.476
VLA-MRT-8c78ee15-2
0.471
VLA-MRT-8c78ee15-1
0.471
VLA-MRT-a639d434-3
0.471
JOH-MSK-1f2dff76-3
0.466
JOH-MSK-1f2dff76-4
0.466
VLA-UNK-70dd90ef-2
0.460
EDJ-MED-159244ea-3
0.456
MAT-POS-983b399a-3
0.456
DAR-DIA-6be260fc-1
0.456
JAG-UCB-f37eaa14-2
0.456
VLA-UNK-f702bf1c-7
0.452
BRU-THA-73c97d88-1
0.452
DAR-DIA-0f7b7cd9-9
0.452
VLA-UNK-f702bf1c-4
0.449
VLA-UNK-f702bf1c-2
0.448
DAR-DIA-0f7b7cd9-8
0.448
EDJ-MED-159244ea-2
0.447
MAT-POS-983b399a-2
0.447
VLA-UNK-f702bf1c-3
0.444
VLA-UNK-3a43cd95-1
0.443
VLA-UNK-f702bf1c-8
0.441
VLA-UNK-f702bf1c-1
0.441
VLA-UNK-3a43cd95-3
0.439
MAT-POS-8293a91a-8
0.438
JOH-MSK-51c67e7d-2
0.438
JOH-MSK-51c67e7d-1
0.438
VLA-UNK-f702bf1c-5
0.438
VLA-UNK-70dd90ef-3
0.437
VLA-UNK-f702bf1c-6
0.436
VLA-UCB-34f3ed0c-14
0.436
JAG-UCB-f37eaa14-1
0.434
VLA-UCB-34f3ed0c-18
0.433
VLA-UNK-56836b69-2
0.433
DAR-DIA-6be260fc-6
0.430
MAT-POS-61f37a1a-14
0.429
VLA-MRT-8c78ee15-4
0.427
VLA-MRT-a639d434-2
0.427
VLA-UCB-34f3ed0c-16
0.423
ADA-UCB-dc2b944c-1
0.421
VLA-UCB-34f3ed0c-17
0.421
DAR-DIA-6be260fc-5
0.421
PET-UNK-4dc48bbe-8
0.417
VLA-MRT-8c78ee15-3
0.416
MAT-POS-ddfe83c6-4
0.416
VLA-MRT-a639d434-1
0.416
PET-UNK-4dc48bbe-6
0.414
VLA-UCB-1dbca3b4-17
0.414
PET-UNK-eeb64427-3
0.414
PET-UNK-eeb64427-6
0.414
JOH-MSK-4bb3d434-3
0.412
VLA-UCB-1dbca3b4-18
0.412
PET-UNK-abc197b8-1
0.412
NIR-THE-1e03c142-1
0.407
PET-UNK-626a1084-1
0.407