Molecular Properties | |
SMILES: | O=C1NC[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 393.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7a31b064-3
PET-UNK-7a31b064-1
PET-UNK-7a31b064-2
PET-UNK-7a31b064-5
PET-UNK-7a31b064-4
PET-UNK-7a31b064-6
PET-UNK-4c71d490-8
PET-UNK-4c71d490-6
PET-UNK-4c71d490-5
PET-UNK-4c71d490-3
PET-UNK-4c71d490-1
PET-UNK-4c71d490-7
PET-UNK-4c71d490-4
PET-UNK-4c71d490-2
VLA-UNK-c65c1026-6
0.742
VLA-UCB-05e51b3f-5
0.685
VLA-UCB-50c39ae8-2
0.685
BEN-BAS-c2bc0d80-6
0.685
MAT-POS-94643566-1
0.685
BEN-BAS-c2bc0d80-3
0.677
VLA-UCB-05e51b3f-6
0.663
VLA-UCB-50c39ae8-3
0.663
MAT-POS-983b399a-1
0.638
EDJ-MED-159244ea-1
0.638
ALP-POS-477dc5b7-4
0.638
VLA-UCB-34f3ed0c-11
0.628
VLA-UNK-cf7facf1-1
0.628
VLA-UCB-29506327-1
0.628
VLA-UNK-c65c1026-4
0.606
ALP-POS-477dc5b7-5
0.596
ALP-POS-e0fe77e5-7
0.596
MAT-POS-e20a5dfb-1
0.596
MAT-POS-e20a5dfb-2
0.596
MAT-POS-ec6d90b7-1
0.571
MAT-POS-ec6d90b7-2
0.571
MAT-POS-90505e2b-1
0.571
VLA-UNK-c65c1026-2
0.566
VLA-UNK-ba665ac8-1
0.564
VLA-UNK-83c3754c-1
0.557
VLA-UNK-70dd90ef-4
0.557
BEN-BAS-c2bc0d80-7
0.554
VLA-UNK-ba665ac8-2
0.553
DAR-DIA-0f7b7cd9-9
0.540
YVE-CNR-7d92d73e-1
0.540
JAG-UCB-f37eaa14-3
0.535
PET-UNK-4c71d490-1
0.532
PET-UNK-4c71d490-5
0.532
PET-UNK-4c71d490-2
0.531
PET-UNK-4c71d490-6
0.531
EDJ-MED-159244ea-3
0.530
MAT-POS-983b399a-3
0.530
BRU-THA-73c97d88-1
0.525
PET-UNK-eeb64427-5
0.523
PET-UNK-eeb64427-2
0.523
PET-UNK-143b31ee-2
0.513
PET-UNK-143b31ee-5
0.513
VLA-UNK-3a43cd95-3
0.510
VLA-UNK-c65c1026-1
0.505
DAR-DIA-0f7b7cd9-8
0.505
VLA-UNK-c65c1026-5
0.505
VLA-UNK-c65c1026-3
0.505
VLA-UNK-f702bf1c-7
0.504
VLA-UCB-34f3ed0c-15
0.504
VLA-UNK-83c3754c-2
0.500
VLA-UNK-f702bf1c-2
0.500
VLA-UNK-f702bf1c-4
0.500
VLA-UNK-f702bf1c-3
0.496
VLA-UNK-f702bf1c-8
0.491
VLA-UNK-f702bf1c-1
0.491
MAT-POS-983b399a-2
0.490
EDJ-MED-159244ea-2
0.490
VLA-UNK-f702bf1c-5
0.487
VLA-UCB-34f3ed0c-14
0.487
VLA-UNK-f702bf1c-6
0.487
VLA-UNK-3a43cd95-1
0.486
VLA-UCB-34f3ed0c-18
0.483
VLA-UNK-70dd90ef-1
0.480
NIR-THE-1e03c142-1
0.476
VLA-UNK-56836b69-2
0.476
JAG-UCB-f37eaa14-2
0.471
DAR-DIA-6be260fc-1
0.471
VLA-UCB-34f3ed0c-16
0.471
VLA-UCB-34f3ed0c-17
0.471
ADA-UCB-dc2b944c-1
0.471
ALP-POS-e0fe77e5-8
0.463
EDG-MED-971238d3-5
0.462
MAT-POS-45b13633-1
0.462
MAT-POS-e6dd326d-1
0.462
MAT-POS-2bb0cf2b-1
0.462
VLA-MRT-8c78ee15-1
0.457
VLA-MRT-8c78ee15-2
0.457
VLA-MRT-a639d434-3
0.457
JOH-MSK-1f2dff76-3
0.453
JOH-MSK-1f2dff76-4
0.453
VLA-UNK-70dd90ef-2
0.447
DAR-DIA-6be260fc-6
0.444
EDG-MED-971238d3-7
0.441
EDG-MED-971238d3-6
0.440
MAT-POS-9db1e783-2
0.439
VLA-UNK-3a43cd95-2
0.439
EDG-MED-971238d3-2
0.439
ALP-POS-4483ae88-1
0.436
EDJ-MED-f9b78f78-4
0.436
VLA-UNK-3a43cd95-4
0.435
ALP-POS-e0fe77e5-4
0.431
VLA-MRT-8c78ee15-4
0.429
RAL-THA-e002e396-6
0.429
VLA-MRT-a639d434-2
0.429
JOH-MSK-51c67e7d-2
0.426
JOH-MSK-51c67e7d-1
0.426
MAT-POS-f9802937-3
0.425
MAT-POS-5d65ec79-1
0.425
MAT-POS-f9802937-4
0.425
VLA-UNK-70dd90ef-3
0.425