Molecular Properties | |
SMILES: | O=C1CN(C(=O)N2CCNCC2)[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 505.15 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 95.08 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UCB-34f3ed0c-17
0.684
VLA-UCB-34f3ed0c-16
0.681
VLA-UNK-ba665ac8-2
0.639
ADA-UCB-dc2b944c-1
0.600
VLA-UCB-34f3ed0c-15
0.585
VLA-UNK-f702bf1c-7
0.585
BEN-BAS-c2bc0d80-7
0.582
VLA-UNK-ba665ac8-1
0.535
VLA-UNK-f702bf1c-2
0.528
VLA-UNK-f702bf1c-3
0.524
VLA-UCB-50c39ae8-2
0.522
VLA-UCB-05e51b3f-5
0.522
BEN-BAS-c2bc0d80-6
0.522
MAT-POS-94643566-1
0.522
VLA-UCB-34f3ed0c-11
0.518
VLA-UCB-29506327-1
0.518
VLA-UNK-cf7facf1-1
0.518
VLA-UCB-34f3ed0c-14
0.516
VLA-UNK-f702bf1c-6
0.516
VLA-UNK-f702bf1c-4
0.516
VLA-UNK-f702bf1c-5
0.516
VLA-UCB-50c39ae8-3
0.509
VLA-UCB-05e51b3f-6
0.509
VLA-UNK-f702bf1c-8
0.508
VLA-UNK-f702bf1c-1
0.508
VLA-UNK-83c3754c-2
0.491
DAR-DIA-0f7b7cd9-9
0.487
MAT-POS-90505e2b-1
0.487
MAT-POS-ec6d90b7-1
0.487
MAT-POS-ec6d90b7-2
0.487
VLA-UCB-34f3ed0c-12
0.483
VLA-UNK-c65c1026-5
0.483
MAT-POS-983b399a-1
0.474
EDJ-MED-159244ea-1
0.474
ALP-POS-477dc5b7-4
0.474
VLA-UNK-c65c1026-2
0.470
DAR-DIA-0f7b7cd9-8
0.458
VLA-UNK-56836b69-3
0.454
VLA-UNK-3a43cd95-3
0.450
VLA-UNK-83c3754c-1
0.448
VLA-UNK-70dd90ef-4
0.448
BEN-BAS-c2bc0d80-3
0.442
VLA-UNK-3a43cd95-1
0.442
EDJ-MED-159244ea-3
0.441
MAT-POS-983b399a-3
0.441
BRU-THA-73c97d88-1
0.437
MAT-POS-e20a5dfb-1
0.434
MAT-POS-e20a5dfb-2
0.434
ALP-POS-477dc5b7-5
0.434
ALP-POS-e0fe77e5-7
0.434
VLA-UNK-c65c1026-6
0.433
JAG-UCB-f37eaa14-3
0.432
EDJ-MED-159244ea-2
0.432
MAT-POS-983b399a-2
0.432
VLA-UNK-70dd90ef-3
0.424
VLA-UNK-56836b69-2
0.420
PET-UNK-eeb64427-3
0.415
PET-UNK-eeb64427-6
0.415
JOH-MSK-b735e33c-1
0.412
VLA-UNK-3a43cd95-4
0.410
EDJ-MED-f893e2a1-8
0.405
PET-UNK-4c71d490-4
0.403
PET-UNK-4c71d490-8
0.403
JOH-MSK-1f2dff76-3
0.402
JOH-MSK-51c67e7d-2
0.402
JOH-MSK-1f2dff76-4
0.402
JOH-MSK-51c67e7d-1
0.402
PET-UNK-143b31ee-3
0.401
PET-UNK-143b31ee-6
0.401
RAL-THA-e002e396-10
0.400
PET-UNK-4c71d490-3
0.398
PET-UNK-4c71d490-7
0.398
PET-UNK-626a1084-1
0.398
PET-UNK-626a1084-3
0.398
VLA-UNK-c65c1026-1
0.398
MAT-POS-2bb0cf2b-1
0.398
VLA-UNK-c65c1026-3
0.398
MAT-POS-45b13633-1
0.398
EDG-MED-971238d3-5
0.398
MAT-POS-e6dd326d-1
0.398
MAT-POS-1bed62cf-2
0.397
LUO-POS-868e8996-7
0.397
LUO-POS-868e8996-8
0.397
PET-UNK-eeb64427-1
0.394
PET-UNK-eeb64427-4
0.394
JOH-MSK-4bb3d434-2
0.394
12_-111-3e02a1cd-2
0.394
PET-UNK-77d5678a-3
0.394
PET-UNK-77d5678a-6
0.394
KAD-UNI-b13decd3-2
0.390
VLA-UNK-3a43cd95-2
0.390
EDJ-MED-40433386-10
0.389
DAR-DIA-ecdbc7dd-13
0.389
12_-111-3e02a1cd-1
0.388
PET-UNK-77d5678a-2
0.388
PET-UNK-77d5678a-5
0.388
DAR-DIA-ecdbc7dd-3
0.388
PET-UNK-94036022-5
0.386
PET-UNK-94036022-12
0.386
EDJ-MED-24007d8a-2
0.385