Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1)NCC(F)(F)F |
| MW: | 502.14 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 4.06 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
EDJ-MED-6b23330e-6
0.885
EDJ-MED-6b23330e-2
0.865
EDJ-MED-6b23330e-7
0.865
EDJ-MED-6b23330e-4
0.856
MAT-POS-e75f6e44-5
0.835
EDJ-MED-6b23330e-3
0.814
EDJ-MED-8bb691af-4
0.811
MAT-POS-c7726e07-5
0.811
LUO-POS-868e8996-11
0.811
MAT-POS-c7726e07-6
0.811
LUO-POS-868e8996-12
0.811
MAT-POS-e75f6e44-2
0.808
ALP-POS-ecbed2ba-14
0.798
MAT-POS-566864e2-1
0.798
MAT-POS-566864e2-2
0.798
MAT-POS-e75f6e44-1
0.798
ALP-POS-ecbed2ba-12
0.798
MAT-POS-e75f6e44-15
0.792
EDJ-MED-6b23330e-1
0.790
MAT-POS-e75f6e44-4
0.790
EDJ-MED-6b23330e-5
0.790
LUO-POS-e1dab717-19
0.789
MAT-POS-e75f6e44-7
0.782
MAT-POS-e75f6e44-17
0.782
MAT-POS-e75f6e44-18
0.777
MAT-POS-e75f6e44-12
0.775
MAT-POS-e75f6e44-13
0.775
MAT-POS-e75f6e44-19
0.775
MAT-POS-e75f6e44-6
0.775
MAT-POS-69786b79-3
0.770
MAT-POS-e75f6e44-21
0.769
EDJ-MED-33064c06-16
0.767
MAT-POS-e75f6e44-10
0.767
MAT-POS-e75f6e44-11
0.767
MAT-POS-e75f6e44-14
0.767
MAT-POS-69786b79-2
0.762
MAT-POS-e75f6e44-20
0.760
MAT-POS-e75f6e44-3
0.755
MAT-POS-e75f6e44-16
0.752
MIK-ENA-1494235a-1
0.745
MIK-ENA-4ed700b1-1
0.745
MIK-ENA-4a1c9a78-1
0.745
MAT-POS-69786b79-4
0.740
MAT-POS-e75f6e44-8
0.736
MAT-POS-e75f6e44-9
0.736
VLA-UNK-3bd6fc51-1
0.727
MIK-ENA-9eb8d9fb-1
0.713
EDJ-MED-40e596c8-1
0.699
ALP-POS-c3a90b22-6
0.692
ALP-POS-133e7cd9-1
0.689
EDJ-MED-40e596c8-3
0.670
LUO-POS-b4dec3be-1
0.664
MIK-ENA-4bb8c98f-1
0.664
LUO-POS-b4dec3be-2
0.664
MIK-ENA-610c7cf9-1
0.664
MAT-POS-b4d6b7fc-5
0.664
MAT-POS-ddfe83c6-6
0.657
EDJ-MED-4cb9dd84-3
0.642
VLA-UNK-5d8210f0-2
0.639
EDJ-MED-40e596c8-2
0.636
MAT-POS-38eb6498-5
0.636
EDJ-MED-7587a9ee-3
0.631
LUO-POS-ed2cfb03-2
0.629
PET-UNK-7e9559de-1
0.627
PET-UNK-7e9559de-4
0.627
MAT-POS-96396902-1
0.627
ALP-POS-c3a90b22-7
0.627
EDJ-MED-5cd3920d-6
0.622
EDJ-MED-b6c6ee2b-2
0.622
VLA-UNK-61877630-10
0.622
MAT-POS-576f7758-1
0.620
ALP-POS-ecbed2ba-7
0.620
LUO-POS-e1dab717-1
0.620
MAT-POS-69786b79-1
0.620
MAT-POS-566864e2-3
0.620
MAT-POS-566864e2-4
0.620
ALP-POS-afe0272e-1
0.617
ALP-POS-ecbed2ba-18
0.615
MAT-POS-b4d6b7fc-7
0.614
ALP-POS-c3a90b22-2
0.609
MIK-ENA-f73d8b60-1
0.607
EDJ-MED-59d5ca70-2
0.605
ALP-POS-ecbed2ba-20
0.604
VLA-UNK-5d8210f0-1
0.600
EDJ-MED-3707c4bc-2
0.600
ALP-POS-ecbed2ba-19
0.598
EDJ-MED-cc48ee33-3
0.595
ALP-POS-c3a90b22-4
0.593
EDJ-MED-33064c06-1
0.593
EDJ-MED-5cd3920d-5
0.593
EDJ-MED-b6c6ee2b-1
0.592
MAT-POS-38eb6498-3
0.592
ALP-POS-ecbed2ba-10
0.589
EDJ-MED-cc48ee33-4
0.589
EDJ-MED-33064c06-2
0.589
EDJ-MED-accc2c4d-1
0.589
EDJ-MED-33064c06-12
0.588
ALP-POS-ecbed2ba-3
0.586
PET-UNK-94036022-3
0.586
PET-UNK-94036022-10
0.586