Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CCN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 448.17 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 3.51 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-c7726e07-5
0.789
LUO-POS-868e8996-12
0.789
MAT-POS-c7726e07-6
0.789
EDJ-MED-8bb691af-4
0.789
LUO-POS-868e8996-11
0.789
MIK-ENA-1494235a-1
0.743
MIK-ENA-4ed700b1-1
0.743
MIK-ENA-4a1c9a78-1
0.743
LUO-POS-e1dab717-19
0.732
EDJ-MED-40e596c8-3
0.731
MAT-POS-e75f6e44-7
0.728
MAT-POS-e75f6e44-6
0.721
MAT-POS-69786b79-3
0.716
EDJ-MED-40e596c8-1
0.713
ALP-POS-ecbed2ba-14
0.709
VLA-UNK-3bd6fc51-1
0.707
EDJ-MED-6b23330e-1
0.702
EDJ-MED-6b23330e-2
0.702
EDJ-MED-6b23330e-7
0.702
MAT-POS-e75f6e44-3
0.702
EDJ-MED-6b23330e-5
0.702
MAT-POS-e75f6e44-4
0.702
MAT-POS-e75f6e44-9
0.701
MAT-POS-e75f6e44-8
0.701
MAT-POS-e75f6e44-16
0.701
EDJ-MED-6b23330e-4
0.695
MAT-POS-69786b79-2
0.692
ALP-POS-ecbed2ba-12
0.692
MAT-POS-e75f6e44-1
0.692
BRU-THA-ae0174a8-1
0.692
MAT-POS-566864e2-2
0.692
MAT-POS-566864e2-1
0.692
MAT-POS-e75f6e44-5
0.692
EDJ-MED-6b23330e-6
0.689
MAT-POS-e75f6e44-19
0.689
ALP-POS-133e7cd9-1
0.686
MAT-POS-e75f6e44-2
0.686
EDJ-MED-33064c06-16
0.682
MAT-POS-e75f6e44-10
0.682
MAT-POS-69786b79-1
0.680
LUO-POS-e1dab717-1
0.680
MAT-POS-566864e2-4
0.680
ALP-POS-ecbed2ba-7
0.680
MAT-POS-576f7758-1
0.680
MAT-POS-566864e2-3
0.680
MAT-POS-e75f6e44-17
0.679
MAT-POS-e75f6e44-20
0.676
MAT-POS-69786b79-4
0.673
MAT-POS-e75f6e44-13
0.673
MAT-POS-e75f6e44-12
0.673
MAT-POS-e75f6e44-15
0.673
MAT-POS-e75f6e44-14
0.667
ALP-POS-c3a90b22-2
0.667
MAT-POS-e75f6e44-11
0.667
EDJ-MED-6b23330e-3
0.664
MAT-POS-e75f6e44-18
0.661
LUO-POS-ed2cfb03-2
0.657
MAT-POS-e75f6e44-21
0.655
ALP-POS-c3a90b22-5
0.651
MIK-ENA-9eb8d9fb-1
0.649
ALP-POS-c3a90b22-4
0.648
EDJ-MED-40e596c8-2
0.648
EDJ-MED-7587a9ee-3
0.644
PET-UNK-7e9559de-4
0.639
MAT-POS-96396902-1
0.639
PET-UNK-7e9559de-1
0.639
ALP-POS-c3a90b22-7
0.639
MAT-POS-ddfe83c6-6
0.638
EDJ-MED-cc48ee33-3
0.636
LUO-POS-ed2cfb03-1
0.632
ALP-POS-c3a90b22-10
0.631
EDJ-MED-cc48ee33-4
0.630
ALP-POS-ecbed2ba-18
0.626
VLA-UNK-5d8210f0-2
0.620
MAT-POS-38eb6498-5
0.618
EDJ-MED-cc48ee33-5
0.618
EDJ-MED-b6c6ee2b-2
0.618
ALP-POS-ecbed2ba-20
0.615
ALP-POS-ecbed2ba-10
0.615
LUO-POS-b4dec3be-1
0.615
MIK-ENA-610c7cf9-1
0.615
LUO-POS-b4dec3be-2
0.615
MAT-POS-b4d6b7fc-5
0.615
MIK-ENA-4bb8c98f-1
0.615
ALP-POS-afe0272e-1
0.613
ALP-POS-ecbed2ba-3
0.611
EDJ-MED-3707c4bc-1
0.611
EDJ-MED-3707c4bc-2
0.611
MAT-POS-be048f2c-8
0.611
ALP-POS-ecbed2ba-19
0.609
PET-UNK-14142a25-1
0.604
MIK-ENA-37e0b697-1
0.604
LUO-POS-9931618f-1
0.604
MIK-ENA-794411b8-1
0.604
LUO-POS-9931618f-2
0.604
EDJ-MED-8bb691af-8
0.604
PET-UNK-14142a25-10
0.604
MIK-ENA-f73d8b60-1
0.604
MAT-POS-be048f2c-5
0.602
EDJ-MED-59d5ca70-2
0.602