Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(F)cc(F)c2C1=O |
| MW: | 450.15 |
| Fraction sp3: | 0.25 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 82.61 |
| cLogP: | 2.39 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![CNC(=O)CN1C[C@@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)cc(F)c2C1=O](/static/images/loading.7a8cbb7079d7.gif)
VLA-UNK-61877630-4
0.830
VLA-UNK-8e615992-1
0.830
EDJ-MED-8bb691af-8
0.680
PET-UNK-14142a25-10
0.680
LUO-POS-9931618f-1
0.680
PET-UNK-14142a25-1
0.680
MIK-ENA-37e0b697-1
0.680
MIK-ENA-794411b8-1
0.680
LUO-POS-9931618f-2
0.680
VLA-UNK-61877630-5
0.680
VLA-UNK-8e615992-2
0.680
ALP-POS-afe0272e-2
0.663
VLA-UNK-5d8210f0-3
0.660
VLA-UNK-5d8210f0-1
0.607
EDJ-MED-8bb691af-4
0.600
LUO-POS-868e8996-11
0.600
MAT-POS-c7726e07-5
0.600
MAT-POS-c7726e07-6
0.600
LUO-POS-868e8996-12
0.600
PET-UNK-14142a25-2
0.593
PET-UNK-14142a25-11
0.593
VLA-UNK-5d8210f0-2
0.587
JOH-MSK-4bb3d434-1
0.574
VLA-UNK-f2612802-3
0.571
EDG-MED-b1ef7fe3-3
0.568
VLA-UNK-f2612802-2
0.568
ALP-POS-afe0272e-1
0.565
EDJ-MED-4cb9dd84-1
0.562
EDJ-MED-33064c06-3
0.561
EDJ-MED-b6c6ee2b-6
0.559
EDG-MED-b1ef7fe3-2
0.559
ALP-POS-c3a90b22-5
0.559
EDJ-MED-3af0740c-1
0.558
EDJ-MED-33064c06-1
0.558
EDG-MED-b1ef7fe3-4
0.556
EDG-MED-b1ef7fe3-1
0.556
LUO-POS-8c3e556a-1
0.556
LUO-POS-8c3e556a-2
0.556
MIK-ENA-1494235a-1
0.554
MIK-ENA-4ed700b1-1
0.554
MIK-ENA-4a1c9a78-1
0.554
EDJ-MED-33064c06-2
0.554
EDJ-MED-33064c06-18
0.554
EDJ-MED-33064c06-5
0.553
EDJ-MED-33064c06-12
0.553
EDJ-MED-33064c06-8
0.549
EDJ-MED-33064c06-10
0.548
ALP-POS-4483ae88-2
0.545
EDJ-MED-33064c06-15
0.544
EDJ-MED-33064c06-17
0.543
ALP-POS-ecbed2ba-14
0.540
EDJ-MED-33064c06-14
0.539
LUO-POS-e1dab717-19
0.537
ALP-POS-c3a90b22-6
0.536
EDJ-MED-6b23330e-1
0.535
MAT-POS-e75f6e44-2
0.535
ALP-POS-c3a90b22-11
0.534
EDJ-MED-33064c06-6
0.534
EDJ-MED-976a33d5-3
0.531
MAT-POS-69786b79-3
0.531
ALP-POS-c3a90b22-12
0.530
EDJ-MED-33064c06-9
0.530
EDJ-MED-33064c06-4
0.530
MAT-POS-566864e2-4
0.527
ALP-POS-ecbed2ba-7
0.527
MAT-POS-576f7758-1
0.527
MAT-POS-69786b79-1
0.527
LUO-POS-e1dab717-1
0.527
MAT-POS-566864e2-3
0.527
BRU-THA-ae0174a8-1
0.526
ALP-POS-ecbed2ba-12
0.526
MAT-POS-566864e2-1
0.526
MAT-POS-566864e2-2
0.526
MAT-POS-e75f6e44-15
0.526
EDJ-MED-6b23330e-6
0.526
MAT-POS-e75f6e44-6
0.526
PET-UNK-aa57768f-2
0.523
PET-UNK-aa57768f-3
0.523
PET-UNK-aa57768f-8
0.523
PET-UNK-aa57768f-9
0.523
PET-UNK-4c71d490-3
0.522
PET-UNK-4c71d490-7
0.522
MAT-POS-38eb6498-6
0.522
EDJ-MED-6b23330e-2
0.522
EDJ-MED-6b23330e-5
0.522
MAT-POS-e75f6e44-4
0.522
EDJ-MED-6b23330e-7
0.522
ALP-POS-133e7cd9-1
0.518
ALP-POS-c3a90b22-2
0.518
EDJ-MED-6b23330e-4
0.517
EDJ-MED-98c0a822-1
0.517
ALP-POS-c3a90b22-4
0.517
MAT-POS-e75f6e44-7
0.517
EDJ-MED-40e596c8-1
0.513
MAT-POS-69786b79-2
0.513
LUO-POS-e1dab717-2
0.513
EDJ-MED-976a33d5-1
0.513
MAT-POS-576f7758-2
0.513
MAT-POS-e48723dc-1
0.513
MAT-POS-e48723dc-2
0.513