Molecular Properties | |
SMILES: | O=C1N[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 378.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 74.33 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-MRT-8c78ee15-2
1.000
VLA-MRT-8c78ee15-1
1.000
VLA-UNK-70dd90ef-1
0.640
JOH-MSK-1f2dff76-3
0.585
JOH-MSK-1f2dff76-4
0.585
VLA-MRT-a639d434-2
0.582
VLA-MRT-8c78ee15-4
0.582
VLA-UNK-83c3754c-1
0.570
VLA-UNK-70dd90ef-4
0.570
VLA-MRT-8c78ee15-3
0.564
MAT-POS-ddfe83c6-4
0.564
VLA-MRT-a639d434-1
0.564
VLA-UCB-29506327-1
0.558
VLA-UNK-cf7facf1-1
0.558
VLA-UCB-34f3ed0c-11
0.558
MAT-POS-c2d406ed-1
0.523
MIK-ENA-f156d06e-1
0.523
VLA-UNK-70dd90ef-2
0.516
VLA-UNK-c65c1026-4
0.505
VLA-UNK-3a43cd95-2
0.505
JOH-MSK-4bb3d434-3
0.500
VLA-UNK-3a43cd95-1
0.495
YVE-CNR-7d92d73e-1
0.490
VLA-UNK-c65c1026-5
0.485
VLA-UNK-56836b69-2
0.485
VLA-UNK-56836b69-5
0.485
VLA-UNK-c65c1026-6
0.471
VLA-UNK-ba665ac8-1
0.457
VLA-UCB-34f3ed0c-12
0.457
VLA-UNK-c65c1026-3
0.456
PET-UNK-eeb64427-2
0.450
PET-UNK-eeb64427-5
0.450
JOH-MSK-51c67e7d-2
0.447
JOH-MSK-51c67e7d-1
0.447
VLA-UNK-70dd90ef-3
0.446
MAT-POS-c2d406ed-3
0.444
VLA-UNK-83c3754c-2
0.437
MAT-POS-90505e2b-1
0.433
MAT-POS-ec6d90b7-1
0.433
MAT-POS-ec6d90b7-2
0.433
VLA-UCB-05e51b3f-6
0.430
VLA-UCB-50c39ae8-3
0.430
PET-UNK-689df078-3
0.429
VLA-UNK-c65c1026-2
0.429
JOH-MSK-ccc6e4c0-1
0.427
MAT-POS-2e8b2191-8
0.426
EDJ-MED-7587a9ee-1
0.426
PET-UNK-4dc48bbe-8
0.426
LUO-POS-5857a86a-4
0.425
VLA-UCB-1dbca3b4-17
0.423
PET-UNK-4dc48bbe-6
0.423
PET-UNK-eeb64427-4
0.421
PET-UNK-eeb64427-1
0.421
PET-UNK-143b31ee-2
0.420
PET-UNK-143b31ee-5
0.420
MAT-POS-ddfe83c6-3
0.420
DAR-DIA-6be260fc-3
0.419
EDJ-MED-94fddcec-4
0.419
ALP-POS-41e2080f-1
0.419
EDJ-MED-d4864bdc-3
0.419
VLA-UCB-50c39ae8-2
0.415
VLA-UCB-05e51b3f-5
0.415
BEN-BAS-c2bc0d80-6
0.415
MAT-POS-94643566-1
0.415
PET-UNK-626a1084-2
0.414
PET-UNK-626a1084-4
0.414
PET-UNK-94036022-5
0.412
PET-UNK-94036022-12
0.412
PET-UNK-94036022-7
0.411
PET-UNK-94036022-14
0.411
JOH-MSK-1f2dff76-1
0.411
JOH-MSK-1f2dff76-2
0.411
MAT-POS-1bed62cf-3
0.411
PET-UNK-4c71d490-1
0.410
PET-UNK-4c71d490-5
0.410
JAG-UCB-f37eaa14-2
0.410
DAR-DIA-6be260fc-1
0.410
PET-UNK-eeb64427-3
0.409
PET-UNK-eeb64427-6
0.409
DAR-DIA-6be260fc-4
0.407
BEN-BAS-c2bc0d80-7
0.407
MAT-POS-ddfe83c6-5
0.407
VLA-UCB-1dbca3b4-3
0.406
EDJ-MED-cbbe2dbb-3
0.405
ALP-POS-4483ae88-1
0.404
EDJ-MED-f9b78f78-4
0.404
MIC-UNK-eb20c3e1-1
0.404
MAT-POS-1f3f1a6f-5
0.402
PET-UNK-626a1084-1
0.402
PET-UNK-626a1084-3
0.402
EDJ-MED-24007d8a-1
0.400
PET-UNK-4c71d490-2
0.400
PET-UNK-4c71d490-6
0.400
VLA-UNK-f702bf1c-7
0.398
PET-UNK-143b31ee-1
0.397
PET-UNK-143b31ee-4
0.397
VLA-UNK-ba665ac8-2
0.396
LUO-POS-5857a86a-2
0.395
MAT-POS-a9372f04-1
0.394
VLA-UCB-1dbca3b4-6
0.394