Molecular Properties | |
SMILES: | O=C1C[C@]2(NC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)c(Cl)cc2N1 |
MW: | 426.03 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 91.4 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-56836b69-6
0.726
VLA-UNK-56836b69-2
0.570
VLA-UNK-70dd90ef-1
0.526
VLA-UNK-3a43cd95-2
0.526
VLA-UNK-3a43cd95-1
0.515
VLA-UNK-83c3754c-1
0.510
VLA-UNK-70dd90ef-4
0.510
VLA-UCB-29506327-1
0.500
VLA-UNK-cf7facf1-1
0.500
VLA-UCB-34f3ed0c-11
0.500
VLA-MRT-a639d434-3
0.485
VLA-MRT-8c78ee15-1
0.485
VLA-MRT-8c78ee15-2
0.485
VLA-UNK-70dd90ef-2
0.474
JOH-MSK-ccc6e4c0-1
0.469
VLA-MRT-a639d434-1
0.454
VLA-MRT-8c78ee15-3
0.454
MAT-POS-ddfe83c6-4
0.454
VLA-MRT-8c78ee15-4
0.453
VLA-MRT-a639d434-2
0.453
MAT-POS-1f3f1a6f-5
0.452
JOH-MSK-4bb3d434-3
0.450
ALP-POS-e0fe77e5-10
0.423
MAT-POS-c2d406ed-1
0.422
MIK-ENA-f156d06e-1
0.422
VLA-UNK-c65c1026-4
0.422
VLA-UNK-70dd90ef-3
0.422
VLA-UNK-56836b69-3
0.415
EDJ-MED-4f704dc9-2
0.411
YVE-CNR-7d92d73e-1
0.410
VLA-UCB-34f3ed0c-12
0.407
VLA-UNK-c65c1026-3
0.406
VLA-UNK-c65c1026-5
0.406
VLA-UNK-c65c1026-6
0.406
VLA-UNK-3a43cd95-4
0.406
PET-UNK-4dc48bbe-8
0.400
VLA-UNK-3a43cd95-3
0.398
PET-UNK-4dc48bbe-6
0.398
VLA-UCB-1dbca3b4-17
0.398
VLA-UNK-ba665ac8-1
0.394
VLA-UCB-50c39ae8-3
0.394
VLA-UCB-05e51b3f-6
0.394
VLA-UCB-1dbca3b4-13
0.394
VLA-UNK-c65c1026-2
0.393
EDJ-MED-7587a9ee-1
0.391
MAT-POS-2e8b2191-8
0.391
PET-UNK-689df078-3
0.390
VLA-UNK-83c3754c-2
0.387
MIC-UNK-0a05c952-4
0.385
VLA-UCB-1dbca3b4-6
0.384
MAT-POS-90505e2b-1
0.383
MAT-POS-ec6d90b7-1
0.383
JOH-MSK-1f2dff76-4
0.383
MAT-POS-ec6d90b7-2
0.383
JOH-MSK-1f2dff76-3
0.383
MIC-UNK-0a05c952-3
0.382
PET-UNK-689df078-1
0.382
VLA-UCB-1dbca3b4-10
0.382
VLA-UCB-1dbca3b4-18
0.382
PET-UNK-abc197b8-1
0.382
VLA-UCB-1dbca3b4-3
0.381
BEN-BAS-c2bc0d80-6
0.380
MAT-POS-94643566-1
0.380
VLA-UCB-05e51b3f-5
0.380
VLA-UCB-50c39ae8-2
0.380
PET-UNK-689df078-2
0.379
VLA-UNK-db5e3064-1
0.379
ALP-POS-e0fe77e5-4
0.376
JOH-MSK-b735e33c-1
0.374
YVE-CNR-132fc2df-1
0.370
JOH-MSK-51c67e7d-1
0.370
JOH-MSK-51c67e7d-2
0.370
VLA-UNK-db5e3064-2
0.370
ALP-UNI-3735e77e-1
0.366
ALP-POS-e0fe77e5-1
0.366
DAR-DIA-b80f1cd7-12
0.366
PET-UNK-7a31b064-1
0.362
BEN-BAS-c2bc0d80-7
0.360
DAR-DIA-b80f1cd7-13
0.360
DAR-DIA-0f7b7cd9-10
0.360
DAR-DIA-b80f1cd7-6
0.360
PET-UNK-689df078-4
0.359
EDJ-MED-d4864bdc-3
0.358
ALP-POS-41e2080f-1
0.358
EDJ-MED-94fddcec-4
0.358
MIC-UNK-d854bf4c-6
0.357
DAR-DIA-b80f1cd7-10
0.357
DAR-DIA-b80f1cd7-14
0.357
PET-UNK-626a1084-2
0.357
PET-UNK-626a1084-4
0.357
PET-UNK-626a1084-1
0.357
PET-UNK-626a1084-3
0.357
PET-UNK-eeb64427-5
0.356
PET-UNK-eeb64427-2
0.356
PET-UNK-94036022-5
0.356
PET-UNK-94036022-12
0.356
EDJ-MED-9e38fd34-4
0.356
EDJ-MED-9e38fd34-5
0.356
EDJ-MED-9e38fd34-6
0.356
PET-UNK-4c71d490-1
0.355