Molecule Details
| Molecular Properties | |
| SMILES: | C=C(CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1)C(=O)NC |
| MW: | 460.17 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 3.68 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![C=C(CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1)C(=O)NC](/static/images/loading.7a8cbb7079d7.gif)
MIK-ENA-1494235a-1
1.000
MIK-ENA-4ed700b1-1
1.000
LUO-POS-868e8996-11
0.849
MAT-POS-c7726e07-6
0.849
LUO-POS-868e8996-12
0.849
EDJ-MED-8bb691af-4
0.849
MAT-POS-c7726e07-5
0.849
MIK-ENA-f73d8b60-1
0.818
MIK-ENA-9eb8d9fb-1
0.814
LUO-POS-e1dab717-19
0.789
MAT-POS-69786b79-3
0.770
ALP-POS-ecbed2ba-14
0.762
MAT-POS-e75f6e44-6
0.757
EDJ-MED-6b23330e-1
0.755
EDJ-MED-6b23330e-2
0.755
MAT-POS-e75f6e44-4
0.755
EDJ-MED-6b23330e-5
0.755
EDJ-MED-6b23330e-7
0.755
EDJ-MED-6b23330e-4
0.748
MAT-POS-e75f6e44-7
0.748
MAT-POS-69786b79-2
0.745
MAT-POS-566864e2-2
0.745
BRU-THA-ae0174a8-1
0.745
MAT-POS-e75f6e44-1
0.745
ALP-POS-ecbed2ba-12
0.745
MAT-POS-566864e2-1
0.745
MAT-POS-e75f6e44-5
0.745
ALP-POS-c3a90b22-6
0.743
MAT-POS-e75f6e44-19
0.740
EDJ-MED-6b23330e-6
0.740
MAT-POS-e75f6e44-2
0.738
MAT-POS-e75f6e44-3
0.738
MIK-ENA-30ee93be-1
0.735
MAT-POS-e75f6e44-10
0.733
EDJ-MED-33064c06-16
0.733
MAT-POS-e75f6e44-17
0.731
EDJ-MED-6b23330e-3
0.729
MAT-POS-69786b79-4
0.724
MAT-POS-e75f6e44-12
0.724
MAT-POS-e75f6e44-13
0.724
MAT-POS-e75f6e44-15
0.724
ALP-POS-133e7cd9-1
0.723
MAT-POS-e75f6e44-8
0.720
MAT-POS-e75f6e44-9
0.720
MAT-POS-e75f6e44-16
0.720
MAT-POS-e75f6e44-11
0.717
MAT-POS-e75f6e44-14
0.717
MAT-POS-e75f6e44-18
0.710
MAT-POS-e75f6e44-20
0.710
MAT-POS-e75f6e44-21
0.704
EDJ-MED-40e596c8-1
0.699
VLA-UNK-3bd6fc51-1
0.693
MAT-POS-ddfe83c6-6
0.689
MAT-POS-38eb6498-5
0.667
MAT-POS-69786b79-1
0.667
MAT-POS-576f7758-1
0.667
ALP-POS-ecbed2ba-7
0.667
LUO-POS-e1dab717-1
0.667
MAT-POS-566864e2-3
0.667
MAT-POS-566864e2-4
0.667
MIK-ENA-26b331e0-1
0.664
LUO-POS-b4dec3be-1
0.664
MAT-POS-b4d6b7fc-5
0.664
MIK-ENA-4bb8c98f-1
0.664
MIK-ENA-610c7cf9-1
0.664
LUO-POS-b4dec3be-2
0.664
EDJ-MED-40e596c8-3
0.655
VLA-UNK-5d8210f0-2
0.654
ALP-POS-c3a90b22-2
0.654
EDJ-MED-b6c6ee2b-2
0.651
ALP-POS-afe0272e-1
0.648
LUO-POS-ed2cfb03-2
0.644
ALP-POS-c3a90b22-4
0.636
EDJ-MED-40e596c8-2
0.636
ALP-POS-c3a90b22-10
0.634
EDJ-MED-b6c6ee2b-1
0.632
MAT-POS-38eb6498-3
0.632
EDJ-MED-7587a9ee-3
0.631
VLA-UNK-5d8210f0-1
0.630
MAT-POS-b4d6b7fc-7
0.628
PET-UNK-7e9559de-4
0.627
MAT-POS-96396902-1
0.627
PET-UNK-7e9559de-1
0.627
ALP-POS-c3a90b22-7
0.627
PET-UNK-eeb64427-1
0.624
PET-UNK-eeb64427-4
0.624
ALP-POS-ecbed2ba-18
0.615
EDJ-MED-cc48ee33-3
0.609
PET-UNK-df7eb4e6-5
0.609
MAT-POS-1d5ab790-2
0.609
MAT-POS-b4d6b7fc-6
0.609
PET-UNK-df7eb4e6-1
0.609
PET-UNK-14142a25-1
0.607
PET-UNK-14142a25-10
0.607
EDJ-MED-8bb691af-8
0.607
LUO-POS-9931618f-1
0.607
MIK-ENA-37e0b697-1
0.607
MIK-ENA-794411b8-1
0.607
LUO-POS-9931618f-2
0.607
EDJ-MED-cc48ee33-5
0.607