Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1C(F)(F)F |
| MW: | 502.14 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 4.06 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-c7726e07-5
VLA-UNK-5d8210f0-5
0.725
VLA-UNK-61877630-3
0.660
VLA-UNK-8e615992-4
0.660
VLA-UNK-f2612802-1
0.639
VLA-UNK-61877630-9
0.598
VLA-UNK-e334495f-3
0.598
LUO-POS-f7b1afe6-3
0.594
EDJ-MED-8bb691af-4
0.574
LUO-POS-868e8996-12
0.574
LUO-POS-868e8996-11
0.574
MAT-POS-c7726e07-5
0.574
MAT-POS-c7726e07-6
0.574
MAT-POS-50a80394-5
0.569
VLA-UNK-61877630-6
0.561
VLA-UNK-8e615992-5
0.561
EDJ-MED-6b23330e-6
0.557
MAT-POS-50a80394-4
0.555
ALP-POS-133e7cd9-1
0.550
MAT-POS-50a80394-7
0.541
LUO-POS-f7b1afe6-4
0.541
EDJ-MED-6b23330e-2
0.539
MAT-POS-50a80394-6
0.535
MIK-ENA-1494235a-1
0.530
MIK-ENA-4ed700b1-1
0.530
BRU-THA-ae0174a8-1
0.530
MIK-ENA-4a1c9a78-1
0.530
ALP-POS-c3a90b22-6
0.526
VLA-UNK-e334495f-4
0.525
VLA-UNK-3bd6fc51-1
0.523
ALP-POS-c3a90b22-2
0.522
LUO-POS-9931618f-1
0.518
LUO-POS-9931618f-2
0.518
EDJ-MED-8bb691af-8
0.518
PET-UNK-14142a25-1
0.518
MIK-ENA-37e0b697-1
0.518
MIK-ENA-794411b8-1
0.518
EDJ-MED-8bb691af-3
0.518
PET-UNK-14142a25-10
0.518
MAT-POS-566864e2-3
0.518
MAT-POS-566864e2-4
0.518
LUO-POS-e1dab717-1
0.518
ALP-POS-ecbed2ba-7
0.518
MAT-POS-576f7758-1
0.518
MAT-POS-69786b79-1
0.518
EDJ-MED-40e596c8-1
0.518
LUO-POS-e1dab717-19
0.514
VLA-UNK-5d8210f0-1
0.513
EDJ-MED-6b23330e-7
0.513
EDJ-MED-33064c06-16
0.513
MAT-POS-e75f6e44-10
0.513
MAT-POS-69786b79-3
0.509
ALP-POS-4483ae88-2
0.509
VLA-UNK-5d8210f0-2
0.509
EDJ-MED-6b23330e-4
0.508
ALP-POS-c3a90b22-4
0.508
ALP-POS-ecbed2ba-12
0.504
ALP-POS-ecbed2ba-14
0.504
MAT-POS-69786b79-2
0.504
VLA-UNK-f2612802-2
0.504
MAT-POS-566864e2-1
0.504
MAT-POS-566864e2-2
0.504
MAT-POS-e75f6e44-1
0.504
MAT-POS-e75f6e44-6
0.504
MAT-POS-e75f6e44-16
0.504
EDJ-MED-6b23330e-1
0.500
EDJ-MED-6b23330e-5
0.500
MAT-POS-e75f6e44-4
0.500
MAT-POS-e75f6e44-2
0.500
ALP-POS-c3a90b22-10
0.496
MAT-POS-e75f6e44-18
0.496
MAT-POS-e75f6e44-7
0.496
EDJ-MED-cc48ee33-3
0.496
LUO-POS-ed2cfb03-2
0.496
MAT-POS-e75f6e44-8
0.492
MAT-POS-e75f6e44-9
0.492
MAT-POS-e75f6e44-21
0.492
MAT-POS-e75f6e44-13
0.492
MAT-POS-e75f6e44-15
0.492
MAT-POS-e75f6e44-19
0.492
MAT-POS-e75f6e44-5
0.492
LUO-POS-e1dab717-13
0.492
MIC-UNK-eb20c3e1-1
0.491
MIK-ENA-9eb8d9fb-1
0.488
EDJ-MED-6b23330e-3
0.488
MAT-POS-e75f6e44-14
0.488
MAT-POS-e75f6e44-3
0.487
PET-UNK-14142a25-2
0.487
PET-UNK-14142a25-11
0.487
VLA-UNK-61877630-4
0.487
VLA-UNK-8e615992-1
0.487
EDJ-MED-3707c4bc-2
0.487
ALP-POS-afe0272e-1
0.487
MAT-POS-e75f6e44-20
0.484
EDJ-MED-cc48ee33-5
0.483
MAT-POS-e75f6e44-17
0.483
VLA-UNK-61877630-5
0.483
VLA-UNK-8e615992-2
0.483
ALP-POS-c3a90b22-5
0.483
MAT-POS-ddfe83c6-5
0.483
EDJ-MED-7587a9ee-3
0.482