Molecule Details
| Molecular Properties | |
| SMILES: | C[C@@]1(C(=O)Nc2cncc3ccccc23)C(=O)Nc2cc(Cl)c(Cl)cc21 |
| MW: | 385.04 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 71.09 |
| cLogP: | 4.39 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
beta-keto/anhydride
Dye 11
![C[C@]1(C(=O)Nc2cncc3ccccc23)C(=O)Nc2cc(Cl)c(Cl)cc21](/static/images/loading.7a8cbb7079d7.gif)
EDJ-MED-9e38fd34-5
1.000
EDJ-MED-9e38fd34-6
1.000
EDJ-MED-9e38fd34-3
0.700
EDJ-MED-9e38fd34-1
0.700
EDJ-MED-9e38fd34-2
0.700
EDJ-MED-2f867453-2
0.575
EDJ-MED-4f704dc9-2
0.570
MAT-POS-c74bc7b3-1
0.562
MAT-POS-c74bc7b3-2
0.562
EDJ-MED-4f704dc9-1
0.543
MIC-UNK-ea4eb352-7
0.543
EDJ-MED-e4b030d8-1
0.495
VLA-UCB-1dbca3b4-14
0.495
BEN-DND-a02b439d-13
0.474
EDJ-MED-2f867453-1
0.468
MAT-POS-78e1d523-3
0.464
MIC-UNK-ea4eb352-8
0.464
EDJ-MED-d08626de-3
0.464
EDJ-MED-37aac4bd-1
0.464
EDJ-MED-d08626de-5
0.464
MAT-POS-78e1d523-4
0.464
EDJ-MED-d08626de-4
0.464
MIC-UNK-ea4eb352-5
0.459
MAT-POS-23a8a11a-1
0.459
VLA-UNK-8e76d113-4
0.456
MAT-POS-932d1078-5
0.455
MAT-POS-932d1078-4
0.455
EDJ-MED-670ad2ee-1
0.455
MIC-UNK-ea4eb352-6
0.455
EDJ-MED-37aac4bd-2
0.455
EDJ-MED-841e0cf0-1
0.455
JOH-UNI-e398da21-1
0.455
BEN-DND-a02b439d-12
0.455
MAT-POS-2e8b2191-4
0.454
MAT-POS-fb82b63d-2
0.453
RAL-THA-176e263b-4
0.449
MAT-POS-22e8b45a-2
0.449
MIC-UNK-e8d6fb58-1
0.449
MAT-POS-83f73d0a-3
0.449
ALP-POS-fe871b40-16
0.448
MIC-UNK-8758c41d-3
0.448
LUO-POS-433ce175-1
0.448
MAT-POS-c7771779-1
0.448
VLA-UNK-56836b69-1
0.448
MIC-UNK-ea4eb352-11
0.446
NIR-THE-3fc2bec4-1
0.446
ALP-POS-fe871b40-12
0.446
MAT-POS-2e8b2191-5
0.443
MAT-POS-64942dd0-4
0.441
MIC-UNK-ea4eb352-12
0.440
DAR-DIA-ecdbc7dd-15
0.440
MAT-POS-c7771779-2
0.440
MAT-POS-89e65850-1
0.440
ALF-EVA-b701bd13-6
0.439
PET-UNK-407a74a5-8
0.439
ALF-EVA-b701bd13-4
0.436
ALP-POS-f1807566-3
0.436
MAT-POS-806462de-2
0.434
ALP-POS-1cbc2fae-1
0.434
MAT-POS-806462de-1
0.434
NAU-LAT-2fed8305-2
0.433
MAT-POS-8e4737f4-1
0.433
DAR-DIA-6a508060-10
0.433
DAR-DIA-0d514e7d-30
0.433
EDJ-MED-e4b030d8-13
0.433
BEN-DND-a7517465-4
0.433
MAT-POS-fce787c2-3
0.432
MAT-POS-fce787c2-4
0.432
MAT-POS-de59a476-1
0.432
MAT-POS-1f3f1a6f-1
0.432
JUL-TUD-06b2044f-83
0.431
VLA-UNK-a5257d84-1
0.430
PET-UNK-6da3dcd8-2
0.430
VLA-UNK-8e76d113-3
0.430
MAT-POS-1f3f1a6f-2
0.429
JOH-UNI-e398da21-2
0.427
MIC-UNK-6e9f8a43-1
0.427
MIC-UNK-6e9f8a43-2
0.426
MIC-UNK-ea4eb352-3
0.426
PET-UNK-1abb40f2-1
0.426
PET-UNK-1abb40f2-3
0.426
MAT-POS-d8472c4f-3
0.426
ALP-POS-df536be7-5
0.426
EDJ-MED-70ab3faf-1
0.424
PET-UNK-407a74a5-7
0.424
NAU-LAT-2fed8305-7
0.424
PET-UNK-1b92fa34-7
0.423
MAT-POS-78e1d523-6
0.423
ALP-UNI-3735e77e-4
0.423
MAT-POS-f9802937-9
0.423
MAT-POS-78e1d523-5
0.423
MAT-POS-f9802937-8
0.423
MAT-POS-fce787c2-7
0.422
RAL-THA-2d450e86-8
0.422
RAL-THA-2d450e86-9
0.422
MAT-POS-e9e99895-1
0.422
MAT-POS-c88128cb-8
0.422
LUO-POS-3b937086-1
0.422
MAT-POS-22e8b45a-3
0.422
RAL-THA-176e263b-1
0.422