Molecular Properties | |
SMILES: | O=C1CN[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 393.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UNK-c65c1026-5
0.742
VLA-UCB-29506327-1
0.700
VLA-UNK-cf7facf1-1
0.700
VLA-UCB-34f3ed0c-11
0.700
VLA-UCB-50c39ae8-2
0.615
VLA-UCB-05e51b3f-5
0.615
BEN-BAS-c2bc0d80-6
0.615
MAT-POS-94643566-1
0.615
VLA-UNK-ba665ac8-2
0.600
VLA-UCB-05e51b3f-6
0.596
VLA-UCB-50c39ae8-3
0.596
VLA-UNK-83c3754c-1
0.589
VLA-UNK-70dd90ef-4
0.589
MAT-POS-90505e2b-1
0.571
MAT-POS-ec6d90b7-1
0.571
MAT-POS-ec6d90b7-2
0.571
VLA-UCB-34f3ed0c-12
0.564
BEN-BAS-c2bc0d80-7
0.554
VLA-UNK-c65c1026-2
0.550
ALP-POS-477dc5b7-4
0.540
EDJ-MED-159244ea-1
0.540
BRU-THA-73c97d88-1
0.540
MAT-POS-983b399a-1
0.540
VLA-UCB-34f3ed0c-18
0.535
EDJ-MED-159244ea-3
0.530
MAT-POS-983b399a-3
0.530
VLA-UNK-f702bf1c-3
0.522
ADA-UCB-dc2b944c-1
0.522
VLA-UCB-34f3ed0c-15
0.518
VLA-UNK-3a43cd95-1
0.515
BEN-BAS-c2bc0d80-3
0.515
DAR-DIA-0f7b7cd9-9
0.510
VLA-UCB-34f3ed0c-17
0.509
VLA-UCB-34f3ed0c-16
0.508
VLA-UNK-56836b69-2
0.505
DAR-DIA-0f7b7cd9-8
0.505
VLA-UNK-c65c1026-6
0.505
ALP-POS-477dc5b7-5
0.505
MAT-POS-e20a5dfb-1
0.505
MAT-POS-e20a5dfb-2
0.505
ALP-POS-e0fe77e5-7
0.505
VLA-UNK-f702bf1c-7
0.504
VLA-UNK-83c3754c-2
0.500
VLA-UCB-34f3ed0c-14
0.500
VLA-UNK-f702bf1c-2
0.500
VLA-UNK-f702bf1c-6
0.500
VLA-UNK-f702bf1c-8
0.491
VLA-UNK-f702bf1c-1
0.491
JAG-UCB-f37eaa14-3
0.490
VLA-UNK-f702bf1c-4
0.487
VLA-UNK-3a43cd95-3
0.481
EDJ-MED-159244ea-2
0.476
MAT-POS-983b399a-2
0.476
VLA-UNK-f702bf1c-5
0.475
JOH-MSK-1f2dff76-3
0.467
JOH-MSK-1f2dff76-4
0.467
VLA-UNK-70dd90ef-3
0.466
VLA-UNK-c65c1026-3
0.462
VLA-UNK-c65c1026-1
0.462
VLA-MRT-a639d434-3
0.457
VLA-MRT-8c78ee15-2
0.457
VLA-MRT-8c78ee15-1
0.457
VLA-UNK-3a43cd95-2
0.453
VLA-UNK-70dd90ef-1
0.452
JOH-MSK-51c67e7d-2
0.439
JOH-MSK-51c67e7d-1
0.439
VLA-UNK-3a43cd95-4
0.435
EDG-MED-971238d3-5
0.435
MAT-POS-2bb0cf2b-1
0.435
MAT-POS-e6dd326d-1
0.435
MAT-POS-45b13633-1
0.435
VLA-UNK-70dd90ef-2
0.433
MAT-POS-2905de8c-3
0.429
PET-UNK-eeb64427-3
0.427
PET-UNK-eeb64427-6
0.427
EDG-MED-971238d3-9
0.427
JAG-UCB-706446eb-3
0.427
MAT-POS-9db1e783-2
0.426
EDG-MED-971238d3-2
0.426
VLA-UNK-c65c1026-4
0.425
MIC-UNK-6e9f8a43-2
0.422
PET-UNK-689df078-3
0.422
PET-UNK-626a1084-1
0.421
PET-UNK-626a1084-2
0.421
PET-UNK-626a1084-3
0.421
PET-UNK-626a1084-4
0.421
PET-UNK-407a74a5-5
0.421
PET-UNK-77d5678a-2
0.420
12_-111-3e02a1cd-1
0.420
PET-UNK-77d5678a-5
0.420
VLA-UNK-56836b69-3
0.418
MAT-POS-61f37a1a-14
0.417
VLA-MRT-a639d434-2
0.416
VLA-MRT-8c78ee15-4
0.416
EDG-MED-971238d3-7
0.416
MAT-POS-45b13633-4
0.414
EDG-MED-971238d3-6
0.414
RAL-THA-58fba2bc-1
0.414
EDG-MED-971238d3-10
0.414
JOH-MSK-4bb3d434-3
0.414