Molecular Properties | |
SMILES: | O=C1CN(CC2CCCCC2)[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 489.18 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 5.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UCB-34f3ed0c-14
0.679
VLA-UNK-f702bf1c-6
0.679
VLA-UCB-34f3ed0c-17
0.655
VLA-UNK-ba665ac8-2
0.654
VLA-UCB-34f3ed0c-18
0.600
VLA-UCB-34f3ed0c-16
0.573
BEN-BAS-c2bc0d80-7
0.568
VLA-UNK-f702bf1c-4
0.540
VLA-UNK-f702bf1c-5
0.540
MAT-POS-94643566-1
0.536
VLA-UCB-05e51b3f-5
0.536
VLA-UCB-50c39ae8-2
0.536
BEN-BAS-c2bc0d80-6
0.536
VLA-UCB-34f3ed0c-15
0.533
VLA-UNK-f702bf1c-7
0.533
VLA-UNK-f702bf1c-3
0.524
VLA-UNK-ba665ac8-1
0.522
VLA-UNK-f702bf1c-2
0.516
VLA-UCB-05e51b3f-6
0.509
VLA-UCB-50c39ae8-3
0.509
VLA-UNK-f702bf1c-8
0.508
VLA-UNK-f702bf1c-1
0.508
VLA-UCB-34f3ed0c-11
0.504
VLA-UCB-29506327-1
0.504
VLA-UNK-cf7facf1-1
0.504
MAT-POS-90505e2b-1
0.500
MAT-POS-ec6d90b7-1
0.500
MAT-POS-ec6d90b7-2
0.500
VLA-UNK-83c3754c-2
0.478
VLA-UCB-34f3ed0c-12
0.471
VLA-UNK-c65c1026-2
0.470
VLA-UNK-c65c1026-5
0.470
MAT-POS-983b399a-1
0.462
ALP-POS-477dc5b7-4
0.462
DAR-DIA-0f7b7cd9-9
0.462
EDJ-MED-159244ea-1
0.462
VLA-UNK-83c3754c-1
0.461
VLA-UNK-70dd90ef-4
0.461
DAR-DIA-0f7b7cd9-8
0.445
MAT-POS-983b399a-3
0.441
EDJ-MED-159244ea-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
BEN-BAS-c2bc0d80-3
0.430
VLA-UNK-c65c1026-6
0.421
JAG-UCB-f37eaa14-3
0.420
VLA-UCB-05e51b3f-13
0.420
VLA-UCB-50c39ae8-10
0.420
DAR-DIA-6a508060-9
0.420
VLA-UCB-1dbca3b4-12
0.419
VLA-UNK-56836b69-3
0.418
VLA-UNK-3a43cd95-3
0.415
JOH-MSK-b735e33c-1
0.412
VLA-UNK-70dd90ef-3
0.412
PET-UNK-143b31ee-3
0.412
PET-UNK-143b31ee-6
0.412
MAT-POS-983b399a-2
0.408
EDJ-MED-159244ea-2
0.408
PET-UNK-eeb64427-3
0.405
PET-UNK-eeb64427-6
0.405
JOH-MSK-51c67e7d-1
0.402
JOH-MSK-51c67e7d-2
0.402
EDG-MED-971238d3-5
0.398
VLA-UNK-c65c1026-1
0.398
MAT-POS-e6dd326d-1
0.398
MAT-POS-45b13633-1
0.398
MAT-POS-2bb0cf2b-1
0.398
VLA-UNK-3a43cd95-4
0.398
DAR-DIA-b80f1cd7-9
0.397
VLA-UNK-3a43cd95-1
0.395
PET-UNK-94036022-4
0.391
PET-UNK-94036022-11
0.391
PET-UNK-626a1084-1
0.388
PET-UNK-626a1084-3
0.388
VLA-UNK-c65c1026-3
0.387
MIC-UNK-5d22d78d-4
0.386
PET-UNK-94036022-12
0.386
PET-UNK-94036022-5
0.386
EDJ-MED-7587a9ee-1
0.386
MAT-POS-2e8b2191-8
0.386
ALP-UNI-0676e700-16
0.386
VLA-UNK-56836b69-2
0.385
MAT-POS-1bed62cf-1
0.385
LUO-POS-868e8996-9
0.385
LUO-POS-868e8996-10
0.385
MAT-POS-c2d406ed-4
0.384
PET-UNK-eeb64427-4
0.383
PET-UNK-eeb64427-1
0.383
VLA-UNK-70dd90ef-2
0.383
JOH-UNI-6e27fddc-4
0.382
PET-UNK-77d5678a-1
0.381
PET-UNK-77d5678a-4
0.381
DAR-DIA-b80f1cd7-7
0.380
JOH-MSK-1f2dff76-4
0.379
JOH-MSK-1f2dff76-3
0.379
DAR-DIA-ecdbc7dd-16
0.379
EDJ-MED-d203f206-22
0.379