Molecular Properties | |
SMILES: | O=C1CN(C(=O)Cc2cc[nH]n2)[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 501.12 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 108.49 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UCB-34f3ed0c-18
0.681
VLA-UCB-34f3ed0c-17
0.667
VLA-UNK-f702bf1c-2
0.632
VLA-UNK-f702bf1c-1
0.622
VLA-UNK-ba665ac8-2
0.622
ADA-UCB-dc2b944c-1
0.573
BEN-BAS-c2bc0d80-7
0.566
VLA-UNK-f702bf1c-3
0.548
VLA-UNK-f702bf1c-8
0.532
VLA-UNK-f702bf1c-7
0.520
VLA-UCB-34f3ed0c-15
0.520
VLA-UCB-50c39ae8-2
0.509
VLA-UCB-05e51b3f-5
0.509
BEN-BAS-c2bc0d80-6
0.509
MAT-POS-94643566-1
0.509
VLA-UNK-ba665ac8-1
0.508
VLA-UNK-f702bf1c-6
0.504
VLA-UCB-34f3ed0c-14
0.504
VLA-UNK-f702bf1c-4
0.504
VLA-UCB-05e51b3f-6
0.496
VLA-UCB-50c39ae8-3
0.496
VLA-UNK-f702bf1c-5
0.492
VLA-UCB-29506327-1
0.491
VLA-UNK-cf7facf1-1
0.491
VLA-UCB-34f3ed0c-11
0.491
MAT-POS-90505e2b-1
0.487
MAT-POS-ec6d90b7-1
0.487
MAT-POS-ec6d90b7-2
0.487
VLA-UNK-83c3754c-2
0.479
VLA-UCB-34f3ed0c-12
0.471
VLA-UNK-c65c1026-2
0.458
VLA-UNK-c65c1026-5
0.458
VLA-UCB-34f3ed0c-4
0.454
EDJ-MED-159244ea-1
0.450
MAT-POS-983b399a-1
0.450
ALP-POS-477dc5b7-4
0.450
PET-UNK-eeb64427-3
0.438
PET-UNK-eeb64427-6
0.438
DAR-DIA-0f7b7cd9-9
0.438
VLA-UNK-83c3754c-1
0.437
VLA-UNK-70dd90ef-4
0.437
EDG-MED-4c68219f-15
0.435
DAR-DIA-0f7b7cd9-8
0.434
VLA-UCB-34f3ed0c-10
0.433
VLA-UCB-34f3ed0c-3
0.432
BEN-BAS-c2bc0d80-3
0.431
EDJ-MED-159244ea-3
0.430
MAT-POS-983b399a-3
0.430
BRU-THA-73c97d88-1
0.426
VLA-UNK-70dd90ef-3
0.425
MAT-POS-e20a5dfb-2
0.424
ALP-POS-e0fe77e5-7
0.424
ALP-POS-477dc5b7-5
0.424
MAT-POS-e20a5dfb-1
0.424
VLA-UNK-c65c1026-6
0.423
EDJ-MED-159244ea-2
0.421
MAT-POS-983b399a-2
0.421
VLA-UNK-56836b69-3
0.419
MAT-POS-e6dd326d-6
0.419
VLA-UCB-34f3ed0c-8
0.418
EDJ-MED-f893e2a1-8
0.417
VLA-UNK-3a43cd95-3
0.416
EDJ-MED-40433386-10
0.412
MAT-POS-e6dd326d-1
0.411
MAT-POS-45b13633-1
0.411
EDG-MED-971238d3-5
0.411
MAT-POS-2bb0cf2b-1
0.411
MAT-POS-e6dd326d-7
0.409
ALP-UNI-0676e700-30
0.408
MAT-POS-e6dd326d-2
0.408
MAT-POS-45b13633-2
0.408
MAT-POS-e6dd326d-4
0.406
JOH-MSK-51c67e7d-2
0.403
JOH-MSK-51c67e7d-1
0.403
PET-UNK-143b31ee-3
0.403
PET-UNK-143b31ee-6
0.403
MAT-POS-e6dd326d-10
0.402
VLA-UNK-c65c1026-3
0.400
JAG-UCB-f37eaa14-3
0.398
VLA-UNK-3a43cd95-1
0.397
ALP-UNI-76695c4f-10
0.396
KAD-UNI-8a629cb0-31
0.396
MAT-POS-e6dd326d-9
0.395
EDJ-MED-15e90dfc-1
0.394
EDJ-MED-f893e2a1-1
0.394
MAT-POS-ddfe83c6-5
0.394
RAL-THA-58fba2bc-3
0.394
EDG-MED-971238d3-3
0.394
EDG-MED-971238d3-6
0.394
EDJ-MED-fcba3f31-5
0.393
EDJ-MED-8c98ee63-1
0.393
MIC-UNK-eb20c3e1-4
0.393
EDJ-MED-424a8a89-2
0.392
JOH-MSK-1f2dff76-4
0.392
MAT-POS-9db1e783-2
0.392
EDG-MED-971238d3-2
0.392
JOH-MSK-1f2dff76-3
0.392
KAD-UNI-b13decd3-12
0.392
EDJ-MED-424a8a89-1
0.391
JAG-UCB-706446eb-4
0.391