Molecular Properties | |
SMILES: | O=C1CNC2(COc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 379.07 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UNK-ba665ac8-1
0.742
VLA-UNK-70dd90ef-4
0.701
VLA-UNK-83c3754c-1
0.701
VLA-UNK-cf7facf1-1
0.596
VLA-UCB-34f3ed0c-11
0.596
VLA-UCB-29506327-1
0.596
VLA-UNK-c65c1026-2
0.583
VLA-UCB-50c39ae8-2
0.551
BEN-BAS-c2bc0d80-6
0.551
VLA-UCB-05e51b3f-5
0.551
MAT-POS-94643566-1
0.551
VLA-UNK-c65c1026-6
0.551
VLA-UNK-83c3754c-2
0.546
VLA-UCB-50c39ae8-3
0.535
VLA-UCB-05e51b3f-6
0.535
VLA-UNK-ba665ac8-2
0.524
JAG-UCB-f37eaa14-3
0.520
VLA-UNK-3a43cd95-2
0.510
MAT-POS-ec6d90b7-1
0.510
MAT-POS-90505e2b-1
0.510
MAT-POS-ec6d90b7-2
0.510
VLA-UCB-34f3ed0c-12
0.505
MAT-POS-61f37a1a-14
0.500
BEN-BAS-c2bc0d80-7
0.495
JOH-MSK-1f2dff76-3
0.495
JOH-MSK-1f2dff76-4
0.495
VLA-UNK-c65c1026-1
0.490
VLA-MRT-8c78ee15-2
0.485
VLA-MRT-a639d434-3
0.485
VLA-MRT-8c78ee15-1
0.485
VLA-UCB-34f3ed0c-18
0.483
EDJ-MED-159244ea-1
0.480
ALP-POS-477dc5b7-4
0.480
MAT-POS-983b399a-1
0.480
VLA-UNK-70dd90ef-3
0.480
VLA-UCB-34f3ed0c-15
0.478
VLA-UNK-3a43cd95-4
0.476
VLA-UNK-c65c1026-3
0.476
EDJ-MED-159244ea-3
0.471
MAT-POS-983b399a-3
0.471
ADA-UCB-dc2b944c-1
0.470
BRU-THA-73c97d88-1
0.466
VLA-UNK-70dd90ef-1
0.465
VLA-UNK-f702bf1c-7
0.465
VLA-UCB-34f3ed0c-16
0.458
VLA-UCB-34f3ed0c-17
0.458
BEN-BAS-c2bc0d80-3
0.457
VLA-UNK-3a43cd95-1
0.457
VLA-UNK-f702bf1c-3
0.457
JOH-MSK-51c67e7d-1
0.452
JOH-MSK-51c67e7d-2
0.452
DAR-DIA-0f7b7cd9-9
0.452
MAT-POS-e20a5dfb-2
0.449
MAT-POS-e20a5dfb-1
0.449
ALP-POS-477dc5b7-5
0.449
ALP-POS-e0fe77e5-7
0.449
VLA-UCB-34f3ed0c-14
0.448
VLA-UNK-f702bf1c-2
0.448
VLA-UNK-f702bf1c-6
0.448
DAR-DIA-0f7b7cd9-8
0.448
VLA-UNK-56836b69-2
0.447
VLA-UNK-f702bf1c-1
0.441
VLA-UNK-f702bf1c-8
0.441
VLA-UNK-3a43cd95-3
0.439
PET-UNK-eeb64427-3
0.439
PET-UNK-eeb64427-6
0.439
VLA-UNK-f702bf1c-4
0.437
VLA-UNK-c65c1026-4
0.437
PET-UNK-689df078-3
0.434
MAT-POS-983b399a-2
0.433
EDJ-MED-159244ea-2
0.433
PET-UNK-626a1084-1
0.432
PET-UNK-626a1084-4
0.432
PET-UNK-626a1084-2
0.432
PET-UNK-626a1084-3
0.432
VLA-UNK-70dd90ef-2
0.431
12_-111-3e02a1cd-1
0.431
PET-UNK-77d5678a-2
0.431
PET-UNK-77d5678a-5
0.431
PET-UNK-689df078-4
0.430
PET-UNK-94036022-5
0.430
PET-UNK-94036022-12
0.430
VLA-MRT-8c78ee15-4
0.427
VLA-MRT-a639d434-2
0.427
VLA-UNK-f702bf1c-5
0.426
JOH-MSK-4bb3d434-3
0.425
YVE-CNR-7d92d73e-1
0.425
LUO-POS-868e8996-7
0.417
MAT-POS-1bed62cf-2
0.417
LUO-POS-868e8996-8
0.417
VLA-MRT-8c78ee15-3
0.416
VLA-MRT-a639d434-1
0.416
MAT-POS-ddfe83c6-4
0.416
MAT-POS-1bed62cf-3
0.416
JOH-MSK-1f2dff76-1
0.416
JOH-MSK-1f2dff76-2
0.416
DAR-DIA-6be260fc-1
0.415
JAG-UCB-f37eaa14-2
0.415
PET-UNK-77d5678a-3
0.414
PET-UNK-77d5678a-6
0.414