Molecular Properties | |
SMILES: | O=C1C[C@]2(CCOc3cc(F)c(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 396.07 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 59.5 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
BEN-BAS-c2bc0d80-6
0.730
MAT-POS-94643566-1
0.730
VLA-UNK-3a43cd95-4
0.730
VLA-UCB-50c39ae8-2
0.730
VLA-UCB-05e51b3f-5
0.730
VLA-UNK-3a43cd95-1
0.615
JAG-UCB-f37eaa14-1
0.556
VLA-UCB-50c39ae8-3
0.554
VLA-UCB-05e51b3f-6
0.554
VLA-UNK-3a43cd95-2
0.545
VLA-UNK-c65c1026-2
0.510
VLA-UCB-34f3ed0c-12
0.510
VLA-UNK-56836b69-2
0.495
ALP-POS-e0fe77e5-4
0.490
VLA-UNK-ba665ac8-2
0.486
MAT-POS-983b399a-1
0.485
ALP-POS-477dc5b7-4
0.485
JOH-MSK-1f2dff76-4
0.485
JOH-MSK-51c67e7d-1
0.485
EDJ-MED-159244ea-1
0.485
JOH-MSK-1f2dff76-3
0.485
JOH-MSK-51c67e7d-2
0.485
VLA-UNK-ba665ac8-1
0.481
VLA-UNK-56836b69-3
0.476
PET-UNK-626a1084-2
0.464
PET-UNK-626a1084-4
0.464
PET-UNK-626a1084-1
0.464
PET-UNK-626a1084-3
0.464
VLA-UCB-34f3ed0c-11
0.462
VLA-UCB-29506327-1
0.462
VLA-UNK-cf7facf1-1
0.462
MAT-POS-90505e2b-1
0.457
MAT-POS-ec6d90b7-1
0.457
MAT-POS-ec6d90b7-2
0.457
LUO-POS-868e8996-10
0.457
MAT-POS-1bed62cf-1
0.457
LUO-POS-868e8996-9
0.457
ALP-POS-477dc5b7-5
0.454
MAT-POS-e20a5dfb-1
0.454
ALP-POS-e0fe77e5-7
0.454
MAT-POS-e20a5dfb-2
0.454
PET-UNK-94036022-4
0.452
PET-UNK-94036022-11
0.452
VLA-UCB-34f3ed0c-18
0.450
BEN-BAS-c2bc0d80-3
0.449
PET-UNK-94036022-5
0.447
PET-UNK-94036022-12
0.447
MAT-POS-1bed62cf-3
0.446
JOH-MSK-1f2dff76-1
0.446
JOH-MSK-1f2dff76-2
0.446
BEN-BAS-c2bc0d80-7
0.444
VLA-UNK-70dd90ef-3
0.442
VLA-UNK-c65c1026-6
0.439
VLA-UNK-c65c1026-3
0.439
VLA-UNK-c65c1026-5
0.439
JAG-UCB-f37eaa14-3
0.438
12_-111-3e02a1cd-1
0.436
PET-UNK-77d5678a-2
0.436
PET-UNK-77d5678a-5
0.436
MAT-POS-1bed62cf-2
0.435
LUO-POS-868e8996-7
0.435
LUO-POS-868e8996-8
0.435
EDJ-MED-159244ea-3
0.434
MAT-POS-983b399a-3
0.434
12_-111-3e02a1cd-2
0.431
PET-UNK-77d5678a-3
0.431
JOH-MSK-4bb3d434-2
0.431
PET-UNK-77d5678a-6
0.431
PET-UNK-6af7266d-2
0.431
PET-UNK-6af7266d-4
0.431
PET-UNK-77d5678a-1
0.427
PET-UNK-77d5678a-4
0.427
JOH-MSK-b735e33c-1
0.426
VLA-UNK-f702bf1c-7
0.420
MAT-POS-993cdc78-1
0.418
MAT-POS-993cdc78-2
0.418
ALP-POS-fe871b40-11
0.418
BRU-THA-73c97d88-1
0.417
VLA-UCB-34f3ed0c-16
0.416
VLA-UNK-83c3754c-1
0.415
VLA-UNK-70dd90ef-4
0.415
ADA-UCB-dc2b944c-1
0.415
VLA-UCB-34f3ed0c-17
0.415
VLA-UNK-c65c1026-1
0.413
VLA-UCB-53bdeed6-5
0.411
VLA-UCB-34f3ed0c-15
0.408
VLA-UNK-83c3754c-2
0.407
VLA-UNK-61877630-5
0.407
VLA-UNK-8e615992-2
0.407
VLA-UNK-f702bf1c-4
0.407
VLA-UNK-f702bf1c-2
0.405
DAR-DIA-0f7b7cd9-9
0.404
VLA-UNK-f2612802-2
0.403
VLA-UNK-c65c1026-4
0.402
MAT-POS-1f3f1a6f-5
0.400
DAR-DIA-0f7b7cd9-8
0.400
VLA-UNK-f702bf1c-1
0.398
VLA-UNK-61877630-8
0.398
VLA-UNK-e334495f-2
0.398
VLA-UNK-56836b69-5
0.398