Molecular Properties | |
SMILES: | O=C1NCC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 392.07 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 91.4 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Dye 11
VLA-UCB-29506327-1
VLA-UNK-70dd90ef-3
0.670
VLA-UNK-c65c1026-4
0.615
MAT-POS-a9372f04-1
0.587
VLA-UNK-70dd90ef-2
0.576
VLA-UNK-70dd90ef-1
0.547
VLA-UNK-c65c1026-6
0.541
VLA-UCB-34f3ed0c-12
0.540
PET-UNK-eeb64427-2
0.514
PET-UNK-eeb64427-5
0.514
VLA-UNK-c65c1026-3
0.510
VLA-MRT-a639d434-3
0.490
VLA-MRT-8c78ee15-2
0.490
VLA-MRT-8c78ee15-1
0.490
YVE-CNR-132fc2df-1
0.485
PET-UNK-4c71d490-1
0.482
PET-UNK-4c71d490-5
0.482
VLA-MRT-a639d434-2
0.472
VLA-MRT-8c78ee15-4
0.472
VLA-UNK-83c3754c-1
0.470
VLA-UNK-70dd90ef-4
0.470
PET-UNK-4c71d490-2
0.470
PET-UNK-4c71d490-6
0.470
DAR-DIA-6be260fc-5
0.466
PET-UNK-143b31ee-2
0.466
PET-UNK-143b31ee-5
0.466
VLA-UCB-29506327-1
0.461
JAG-UCB-f37eaa14-2
0.461
VLA-UNK-cf7facf1-1
0.461
VLA-UCB-34f3ed0c-11
0.461
DAR-DIA-6be260fc-1
0.461
JOH-MSK-1f2dff76-3
0.456
BRU-THA-55eab31a-1
0.456
JOH-MSK-1f2dff76-4
0.456
MAT-POS-ddfe83c6-4
0.445
VLA-MRT-8c78ee15-3
0.445
VLA-MRT-a639d434-1
0.445
DAR-DIA-6be260fc-3
0.442
JOH-MSK-51c67e7d-2
0.442
JOH-MSK-51c67e7d-1
0.442
DAR-DIA-6be260fc-2
0.439
ALP-POS-e0fe77e5-13
0.439
PET-UNK-4dc48bbe-8
0.436
DAR-DIA-6be260fc-6
0.434
PET-UNK-4dc48bbe-6
0.433
VLA-UCB-1dbca3b4-17
0.433
PET-UNK-94036022-7
0.432
PET-UNK-94036022-14
0.432
DAR-DIA-6be260fc-4
0.430
VLA-UNK-3a43cd95-2
0.429
JOH-MSK-4bb3d434-3
0.429
BEN-BAS-c2bc0d80-6
0.425
MAT-POS-94643566-1
0.425
VLA-UCB-05e51b3f-5
0.425
VLA-UNK-c65c1026-2
0.425
VLA-UNK-c65c1026-5
0.425
VLA-UCB-50c39ae8-2
0.425
PET-UNK-689df078-3
0.424
VLA-UNK-3a43cd95-1
0.421
MAT-POS-1bed62cf-3
0.420
JOH-MSK-1f2dff76-1
0.420
JOH-MSK-1f2dff76-2
0.420
VLA-UNK-83c3754c-2
0.419
PET-UNK-eeb64427-3
0.417
PET-UNK-eeb64427-6
0.417
VLA-UCB-1dbca3b4-18
0.416
PET-UNK-abc197b8-1
0.416
MAT-POS-c2d406ed-1
0.415
PET-UNK-94036022-13
0.415
MIK-ENA-f156d06e-1
0.415
PET-UNK-94036022-6
0.415
MAT-POS-90505e2b-1
0.415
MAT-POS-ec6d90b7-1
0.415
MAT-POS-ec6d90b7-2
0.415
VLA-UNK-ba665ac8-1
0.413
VLA-UCB-05e51b3f-6
0.413
VLA-UCB-50c39ae8-3
0.413
MAT-POS-1f3f1a6f-5
0.412
PET-UNK-626a1084-1
0.411
PET-UNK-626a1084-2
0.411
PET-UNK-626a1084-3
0.411
PET-UNK-626a1084-4
0.411
VLA-UNK-56836b69-5
0.410
MAT-POS-2e8b2191-8
0.409
EDJ-MED-7587a9ee-1
0.409
EDJ-MED-24007d8a-1
0.409
PET-UNK-eeb64427-4
0.405
PET-UNK-eeb64427-1
0.405
VLA-UCB-1dbca3b4-6
0.404
BEN-BAS-c2bc0d80-7
0.404
MAT-POS-ddfe83c6-5
0.404
VLA-UNK-f702bf1c-3
0.400
MIC-UNK-eb20c3e1-1
0.400
VLA-UNK-3a43cd95-4
0.398
MAT-POS-1bed62cf-2
0.397
LUO-POS-868e8996-7
0.397
LUO-POS-868e8996-8
0.397
PET-UNK-94036022-5
0.397
PET-UNK-94036022-12
0.397
VLA-UNK-56836b69-2
0.396
VLA-UCB-34f3ed0c-15
0.395