Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)[C@@]2(CCOc3ccc(Cl)cc32)N1CC1CCCCC1 |
MW: | 475.17 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 5.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UCB-34f3ed0c-14
1.000
VLA-UNK-f702bf1c-4
0.764
VLA-UNK-f702bf1c-5
0.759
ADA-UCB-dc2b944c-1
0.679
VLA-UNK-f702bf1c-2
0.673
VLA-UNK-f702bf1c-7
0.664
VLA-UCB-34f3ed0c-15
0.664
VLA-UNK-f702bf1c-3
0.652
VLA-UNK-f702bf1c-8
0.646
VLA-UNK-f702bf1c-1
0.646
BEN-BAS-c2bc0d80-7
0.635
JOH-MSK-b735e33c-1
0.580
VLA-UCB-34f3ed0c-17
0.580
VLA-UNK-ba665ac8-2
0.573
VLA-UNK-83c3754c-2
0.537
VLA-UCB-29506327-1
0.523
VLA-UNK-cf7facf1-1
0.523
VLA-UCB-34f3ed0c-11
0.523
MAT-POS-90505e2b-1
0.518
MAT-POS-ec6d90b7-1
0.518
MAT-POS-ec6d90b7-2
0.518
VLA-UCB-34f3ed0c-18
0.516
VLA-UCB-34f3ed0c-16
0.504
VLA-UNK-ba665ac8-1
0.500
BEN-BAS-c2bc0d80-6
0.500
MAT-POS-94643566-1
0.500
VLA-UCB-05e51b3f-5
0.500
VLA-UCB-50c39ae8-2
0.500
VLA-UCB-05e51b3f-6
0.487
VLA-UCB-50c39ae8-3
0.487
VLA-UCB-34f3ed0c-12
0.487
EDJ-MED-159244ea-1
0.478
ALP-POS-477dc5b7-4
0.478
MAT-POS-983b399a-1
0.478
VLA-UNK-83c3754c-1
0.477
VLA-UNK-70dd90ef-4
0.477
VLA-UNK-56836b69-3
0.470
DAR-DIA-0f7b7cd9-9
0.465
MAT-POS-e20a5dfb-2
0.462
ALP-POS-e0fe77e5-7
0.462
MAT-POS-e20a5dfb-1
0.462
ALP-POS-477dc5b7-5
0.462
BRU-THA-73c97d88-1
0.452
DAR-DIA-0f7b7cd9-8
0.448
VLA-UNK-c65c1026-2
0.448
VLA-UNK-c65c1026-5
0.448
JAG-UCB-f37eaa14-3
0.447
VLA-UCB-1dbca3b4-12
0.445
DAR-DIA-b80f1cd7-9
0.445
BEN-BAS-c2bc0d80-3
0.444
EDJ-MED-159244ea-3
0.443
MAT-POS-983b399a-3
0.443
EDJ-MED-dbcb2afb-1
0.442
EDJ-MED-24007d8a-2
0.441
JOH-MSK-949975c8-1
0.440
VLA-UNK-c65c1026-6
0.436
EDJ-MED-159244ea-2
0.435
MAT-POS-983b399a-2
0.435
VLA-UCB-50c39ae8-10
0.433
VLA-UCB-05e51b3f-13
0.433
DAR-DIA-6a508060-9
0.433
DAR-DIA-b80f1cd7-13
0.429
DAR-DIA-b80f1cd7-7
0.426
DAR-DIA-b80f1cd7-11
0.425
EDJ-MED-cbbe2dbb-1
0.424
MIC-UNK-7b6fe9e8-1
0.424
VLA-UNK-c65c1026-1
0.424
DAR-DIA-b80f1cd7-8
0.423
EDJ-MED-24007d8a-1
0.421
EDJ-MED-cbbe2dbb-3
0.414
DAR-DIA-b80f1cd7-10
0.413
EDG-MED-971238d3-5
0.412
MAT-POS-2bb0cf2b-1
0.412
MAT-POS-e6dd326d-1
0.412
MAT-POS-45b13633-1
0.412
MAT-POS-2e8b2191-8
0.410
EDJ-MED-7587a9ee-1
0.410
VLA-UNK-3a43cd95-1
0.408
EDJ-MED-cbbe2dbb-4
0.408
EDJ-MED-cbbe2dbb-2
0.407
EDJ-MED-a6bd6de0-1
0.405
EDJ-MED-b0f3342b-1
0.405
EDJ-MED-3af0740c-8
0.404
DAR-DIA-b80f1cd7-14
0.402
EDJ-MED-d203f206-22
0.400
MIC-UNK-7b6fe9e8-2
0.398
MAT-POS-c2d406ed-2
0.398
MIC-UNK-5d22d78d-4
0.398
DAR-DIA-b80f1cd7-12
0.398
VLA-UNK-56836b69-2
0.398
EDJ-MED-d203f206-30
0.394
MAT-POS-ddfe83c6-5
0.394
VLA-UNK-3a43cd95-3
0.393
PET-UNK-143b31ee-3
0.393
PET-UNK-143b31ee-6
0.393
MAT-POS-5d65ec79-1
0.392
MAT-POS-f9802937-3
0.392
MAT-POS-78e1d523-2
0.392
MAT-POS-f9802937-4
0.392
ALP-POS-477dc5b7-3
0.389