Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)NC1CC1 |
| MW: | 460.17 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 3.66 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CCN(c3cncc4ccccc34)C2=O)C1](/static/images/loading.7a8cbb7079d7.gif)
LUO-POS-868e8996-11
0.811
MAT-POS-c7726e07-5
0.811
LUO-POS-868e8996-12
0.811
MAT-POS-c7726e07-6
0.811
EDJ-MED-8bb691af-4
0.811
MAT-POS-566864e2-2
0.798
MAT-POS-566864e2-1
0.798
ALP-POS-ecbed2ba-12
0.798
LUO-POS-e1dab717-19
0.789
MAT-POS-e75f6e44-1
0.780
MAT-POS-e75f6e44-18
0.777
MAT-POS-e75f6e44-13
0.775
EDJ-MED-6b23330e-5
0.772
MAT-POS-e75f6e44-4
0.772
MAT-POS-69786b79-3
0.770
MAT-POS-e75f6e44-8
0.769
MAT-POS-e75f6e44-9
0.769
MAT-POS-e75f6e44-14
0.767
BRU-THA-ae0174a8-1
0.762
ALP-POS-ecbed2ba-14
0.762
MAT-POS-e75f6e44-5
0.762
EDJ-MED-6b23330e-6
0.757
MAT-POS-e75f6e44-19
0.757
EDJ-MED-6b23330e-1
0.755
EDJ-MED-6b23330e-2
0.755
EDJ-MED-6b23330e-7
0.755
MAT-POS-e75f6e44-2
0.755
MAT-POS-e75f6e44-3
0.755
EDJ-MED-6b23330e-4
0.748
MAT-POS-e75f6e44-7
0.748
MAT-POS-e75f6e44-17
0.748
MIK-ENA-1494235a-1
0.745
MIK-ENA-4ed700b1-1
0.745
MIK-ENA-4a1c9a78-1
0.745
MAT-POS-e75f6e44-20
0.743
MAT-POS-e75f6e44-12
0.740
MAT-POS-e75f6e44-15
0.740
MAT-POS-69786b79-4
0.740
MAT-POS-e75f6e44-6
0.740
MAT-POS-e75f6e44-16
0.736
MAT-POS-e75f6e44-21
0.736
MAT-POS-e75f6e44-11
0.733
EDJ-MED-33064c06-16
0.733
MAT-POS-e75f6e44-10
0.733
MIK-ENA-9eb8d9fb-1
0.729
EDJ-MED-6b23330e-3
0.729
ALP-POS-c3a90b22-6
0.692
ALP-POS-133e7cd9-1
0.689
EDJ-MED-40e596c8-3
0.685
EDJ-MED-33064c06-18
0.679
VLA-UNK-3bd6fc51-1
0.676
EDJ-MED-40e596c8-2
0.667
EDJ-MED-40e596c8-1
0.667
MAT-POS-ddfe83c6-6
0.657
ALP-POS-c3a90b22-7
0.642
EDJ-MED-4cb9dd84-3
0.642
MAT-POS-38eb6498-5
0.636
MAT-POS-576f7758-1
0.636
MAT-POS-566864e2-3
0.636
MAT-POS-69786b79-1
0.636
LUO-POS-e1dab717-1
0.636
MAT-POS-566864e2-4
0.636
ALP-POS-ecbed2ba-7
0.636
EDJ-MED-59d5ca70-2
0.634
MIK-ENA-4bb8c98f-1
0.633
LUO-POS-b4dec3be-1
0.633
MIK-ENA-610c7cf9-1
0.633
LUO-POS-b4dec3be-2
0.633
MAT-POS-b4d6b7fc-5
0.633
PET-UNK-7e9559de-4
0.627
MAT-POS-96396902-1
0.627
PET-UNK-7e9559de-1
0.627
ALP-POS-c3a90b22-2
0.624
VLA-UNK-5d8210f0-2
0.624
EDJ-MED-b6c6ee2b-2
0.622
ALP-POS-afe0272e-1
0.617
EDJ-MED-7587a9ee-3
0.615
LUO-POS-ed2cfb03-2
0.613
ALP-POS-ecbed2ba-5
0.607
MIK-ENA-f73d8b60-1
0.607
VLA-UNK-61877630-10
0.607
EDJ-MED-5cd3920d-6
0.607
ALP-POS-ecbed2ba-20
0.604
EDJ-MED-4138fde9-8
0.604
EDJ-MED-accc2c4d-1
0.604
EDJ-MED-4138fde9-9
0.602
PET-UNK-94036022-3
0.600
EDJ-MED-3707c4bc-2
0.600
ALP-POS-ecbed2ba-3
0.600
ALP-POS-ecbed2ba-18
0.600
PET-UNK-94036022-10
0.600
EDJ-MED-accc2c4d-3
0.600
EDJ-MED-3707c4bc-1
0.600
MAT-POS-b4d6b7fc-7
0.600
EDJ-MED-cc48ee33-3
0.595
ALP-POS-c3a90b22-4
0.593
MAT-POS-38eb6498-3
0.592
EDJ-MED-b6c6ee2b-1
0.592
MAT-POS-be048f2c-7
0.591
ALP-POS-c3a90b22-10
0.591