Molecular Properties | |
SMILES: | CN1CC(=O)N(c2cncc3ccccc23)C(=O)[C@@]12CCOc1ccc(Cl)cc12 |
MW: | 407.1 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 62.74 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
BEN-BAS-c2bc0d80-7
0.691
ADA-UCB-dc2b944c-1
0.654
VLA-UCB-34f3ed0c-17
0.654
VLA-UCB-34f3ed0c-18
0.639
VLA-UCB-34f3ed0c-16
0.622
VLA-UCB-05e51b3f-5
0.619
VLA-UCB-50c39ae8-2
0.619
BEN-BAS-c2bc0d80-6
0.619
MAT-POS-94643566-1
0.619
VLA-UNK-ba665ac8-1
0.600
VLA-UNK-f702bf1c-7
0.593
VLA-UCB-50c39ae8-3
0.584
VLA-UCB-05e51b3f-6
0.584
VLA-UNK-f702bf1c-3
0.582
VLA-UCB-29506327-1
0.582
VLA-UNK-83c3754c-2
0.582
VLA-UNK-cf7facf1-1
0.582
VLA-UCB-34f3ed0c-11
0.582
VLA-UCB-34f3ed0c-15
0.578
VLA-UNK-f702bf1c-1
0.577
VLA-UNK-f702bf1c-8
0.577
MAT-POS-ec6d90b7-2
0.576
MAT-POS-90505e2b-1
0.576
MAT-POS-ec6d90b7-1
0.576
VLA-UCB-34f3ed0c-14
0.573
VLA-UNK-f702bf1c-2
0.573
VLA-UNK-f702bf1c-6
0.573
VLA-UNK-f702bf1c-4
0.571
VLA-UNK-f702bf1c-5
0.557
VLA-UNK-c65c1026-2
0.554
VLA-UCB-34f3ed0c-12
0.553
VLA-UNK-c65c1026-5
0.524
DAR-DIA-0f7b7cd9-9
0.515
MAT-POS-983b399a-1
0.515
ALP-POS-477dc5b7-4
0.515
BRU-THA-73c97d88-1
0.515
EDJ-MED-159244ea-1
0.515
MAT-POS-983b399a-3
0.505
EDJ-MED-159244ea-3
0.505
VLA-UNK-56836b69-3
0.505
VLA-UNK-83c3754c-1
0.500
VLA-UNK-70dd90ef-4
0.500
VLA-UNK-c65c1026-6
0.495
DAR-DIA-0f7b7cd9-8
0.495
BEN-BAS-c2bc0d80-3
0.491
VLA-UNK-3a43cd95-3
0.486
JOH-MSK-51c67e7d-1
0.486
JOH-MSK-51c67e7d-2
0.486
ALP-POS-477dc5b7-5
0.481
MAT-POS-e20a5dfb-1
0.481
ALP-POS-e0fe77e5-7
0.481
MAT-POS-e20a5dfb-2
0.481
JAG-UCB-f37eaa14-3
0.481
EDJ-MED-159244ea-2
0.467
MAT-POS-983b399a-2
0.467
VLA-UNK-70dd90ef-3
0.457
VLA-UNK-c65c1026-1
0.454
VLA-UNK-c65c1026-3
0.454
VLA-UNK-3a43cd95-1
0.450
VLA-UNK-56836b69-2
0.439
MAT-POS-2e8b2191-8
0.438
EDJ-MED-7587a9ee-1
0.438
PET-UNK-689df078-4
0.437
PET-UNK-eeb64427-3
0.432
PET-UNK-eeb64427-6
0.432
JOH-MSK-1f2dff76-3
0.431
JOH-MSK-1f2dff76-4
0.431
EDG-MED-971238d3-5
0.427
VLA-UNK-3a43cd95-4
0.427
MAT-POS-2bb0cf2b-1
0.427
MAT-POS-45b13633-1
0.427
MAT-POS-e6dd326d-1
0.427
PET-UNK-626a1084-1
0.426
PET-UNK-626a1084-2
0.426
PET-UNK-626a1084-4
0.426
PET-UNK-626a1084-3
0.426
PET-UNK-94036022-5
0.424
PET-UNK-94036022-12
0.424
DAR-DIA-ecdbc7dd-2
0.424
MAT-POS-45b13633-2
0.423
MAT-POS-e6dd326d-2
0.423
JOH-MSK-1f2dff76-2
0.422
JOH-MSK-1f2dff76-1
0.422
MAT-POS-1bed62cf-3
0.422
BEN-DND-a7517465-4
0.421
EDJ-MED-e4b030d8-13
0.421
MAT-POS-8e4737f4-1
0.421
DAR-DIA-6a508060-10
0.421
PET-UNK-eeb64427-1
0.420
PET-UNK-eeb64427-4
0.420
MAT-POS-ddfe83c6-5
0.419
PET-UNK-94036022-4
0.417
PET-UNK-94036022-11
0.417
VLA-UNK-c65c1026-4
0.417
PET-UNK-143b31ee-6
0.416
PET-UNK-143b31ee-3
0.416
JOH-MSK-b735e33c-1
0.416
PET-UNK-4c71d490-3
0.413
PET-UNK-4c71d490-7
0.413
VLA-UNK-70dd90ef-2
0.411