Molecular Properties | |
SMILES: | O=C1CC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 377.06 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 79.37 |
cLogP: | 3.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
phthalimide
Dye 11
VLA-UNK-83c3754c-1
YVE-CNR-7d92d73e-1
0.670
MAT-POS-a9372f04-1
0.625
VLA-UNK-70dd90ef-2
0.560
VLA-UNK-c65c1026-3
0.526
JOH-MSK-51c67e7d-2
0.515
JOH-MSK-51c67e7d-1
0.515
VLA-UNK-c65c1026-4
0.500
VLA-UNK-70dd90ef-1
0.500
YVE-CNR-132fc2df-1
0.500
JOH-MSK-1f2dff76-3
0.500
JOH-MSK-1f2dff76-4
0.500
MAT-POS-1bed62cf-3
0.486
JOH-MSK-1f2dff76-1
0.486
JOH-MSK-1f2dff76-2
0.486
VLA-UCB-05e51b3f-5
0.480
VLA-UCB-50c39ae8-2
0.480
VLA-UNK-c65c1026-5
0.480
BEN-BAS-c2bc0d80-6
0.480
MAT-POS-94643566-1
0.480
PET-UNK-626a1084-3
0.476
PET-UNK-626a1084-1
0.476
PET-UNK-626a1084-2
0.476
PET-UNK-626a1084-4
0.476
12_-111-3e02a1cd-1
0.473
PET-UNK-77d5678a-5
0.473
PET-UNK-77d5678a-2
0.473
VLA-UNK-ba665ac8-1
0.466
VLA-UNK-c65c1026-2
0.465
VLA-UNK-83c3754c-2
0.460
MAT-POS-1bed62cf-2
0.459
LUO-POS-868e8996-7
0.459
PET-UNK-94036022-5
0.459
LUO-POS-868e8996-8
0.459
PET-UNK-94036022-12
0.459
VLA-UNK-ba665ac8-2
0.457
VLA-UNK-70dd90ef-4
0.455
PET-UNK-eeb64427-3
0.455
PET-UNK-eeb64427-6
0.455
JOH-MSK-4bb3d434-2
0.455
VLA-UNK-83c3754c-1
0.455
12_-111-3e02a1cd-2
0.455
PET-UNK-77d5678a-3
0.455
PET-UNK-77d5678a-6
0.455
PET-UNK-6af7266d-2
0.455
PET-UNK-6af7266d-4
0.455
VLA-UCB-50c39ae8-3
0.452
VLA-UCB-05e51b3f-6
0.452
DAR-DIA-6be260fc-5
0.451
VLA-UNK-3a43cd95-4
0.451
PET-UNK-94036022-4
0.450
PET-UNK-77d5678a-4
0.450
PET-UNK-94036022-11
0.450
PET-UNK-77d5678a-1
0.450
VLA-UNK-cf7facf1-1
0.446
DAR-DIA-6be260fc-1
0.446
VLA-UCB-34f3ed0c-11
0.446
VLA-UCB-29506327-1
0.446
JAG-UCB-f37eaa14-2
0.446
VLA-MRT-8c78ee15-1
0.446
VLA-MRT-8c78ee15-2
0.446
VLA-MRT-a639d434-3
0.446
VLA-MRT-8c78ee15-4
0.443
VLA-MRT-a639d434-2
0.443
MAT-POS-1bed62cf-1
0.442
LUO-POS-868e8996-9
0.442
LUO-POS-868e8996-10
0.442
VLA-UNK-3a43cd95-3
0.442
PET-UNK-eeb64427-1
0.441
PET-UNK-eeb64427-4
0.441
BRU-THA-55eab31a-1
0.441
DAR-DIA-6be260fc-2
0.438
VLA-UNK-c65c1026-6
0.437
VLA-MRT-a639d434-1
0.431
VLA-MRT-8c78ee15-3
0.431
PET-UNK-94036022-7
0.431
PET-UNK-94036022-14
0.431
MAT-POS-ddfe83c6-4
0.431
BEN-BAS-c2bc0d80-7
0.429
MAT-POS-ec6d90b7-1
0.427
MAT-POS-ec6d90b7-2
0.427
DAR-DIA-6be260fc-3
0.427
MAT-POS-90505e2b-1
0.427
VLA-UCB-34f3ed0c-16
0.425
VLA-UCB-34f3ed0c-12
0.425
ALP-POS-e0fe77e5-13
0.425
VLA-UCB-34f3ed0c-18
0.424
MIC-UNK-eb20c3e1-1
0.423
PET-UNK-689df078-3
0.423
VLA-UNK-56836b69-5
0.422
PET-UNK-4c71d490-3
0.421
PET-UNK-4c71d490-7
0.421
EDJ-MED-7587a9ee-1
0.421
MAT-POS-2e8b2191-8
0.421
EDJ-MED-24007d8a-1
0.420
PET-UNK-eeb64427-2
0.420
PET-UNK-eeb64427-5
0.420
PET-UNK-4dc48bbe-8
0.419
DAR-DIA-6be260fc-6
0.419
EDJ-MED-159244ea-3
0.417
MAT-POS-983b399a-3
0.417