Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(F)CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 494.19 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 4.24 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
BRU-THA-ae0174a8-1
0.885
EDJ-MED-6b23330e-2
0.876
EDJ-MED-6b23330e-7
0.876
EDJ-MED-6b23330e-4
0.867
EDJ-MED-6b23330e-3
0.825
MAT-POS-e75f6e44-5
0.810
LUO-POS-868e8996-11
0.804
LUO-POS-868e8996-12
0.804
MAT-POS-c7726e07-6
0.804
EDJ-MED-8bb691af-4
0.804
MAT-POS-c7726e07-5
0.804
MAT-POS-566864e2-2
0.792
ALP-POS-ecbed2ba-14
0.792
MAT-POS-566864e2-1
0.792
ALP-POS-ecbed2ba-12
0.792
EDJ-MED-6b23330e-1
0.784
EDJ-MED-6b23330e-5
0.784
MAT-POS-e75f6e44-4
0.784
MAT-POS-e75f6e44-2
0.784
MAT-POS-e75f6e44-21
0.781
MAT-POS-e75f6e44-7
0.777
MAT-POS-e75f6e44-1
0.775
MAT-POS-e75f6e44-18
0.771
MAT-POS-e75f6e44-6
0.769
MAT-POS-e75f6e44-13
0.769
MAT-POS-e75f6e44-15
0.769
MAT-POS-e75f6e44-19
0.769
LUO-POS-e1dab717-19
0.765
MAT-POS-69786b79-3
0.765
MAT-POS-e75f6e44-16
0.764
EDJ-MED-33064c06-16
0.762
MAT-POS-e75f6e44-10
0.762
MAT-POS-e75f6e44-14
0.762
MAT-POS-e75f6e44-17
0.760
MAT-POS-69786b79-2
0.757
MAT-POS-e75f6e44-20
0.755
MAT-POS-e75f6e44-12
0.752
MAT-POS-e75f6e44-8
0.748
MAT-POS-e75f6e44-9
0.748
MAT-POS-e75f6e44-11
0.745
MIK-ENA-1494235a-1
0.740
MIK-ENA-4ed700b1-1
0.740
MIK-ENA-4a1c9a78-1
0.740
MAT-POS-e75f6e44-3
0.733
MAT-POS-69786b79-4
0.720
MIK-ENA-9eb8d9fb-1
0.709
VLA-UNK-3bd6fc51-1
0.706
EDJ-MED-40e596c8-1
0.695
ALP-POS-c3a90b22-6
0.689
ALP-POS-133e7cd9-1
0.686
EDJ-MED-40e596c8-3
0.667
MIK-ENA-4bb8c98f-1
0.661
LUO-POS-b4dec3be-1
0.661
MIK-ENA-610c7cf9-1
0.661
LUO-POS-b4dec3be-2
0.661
MAT-POS-b4d6b7fc-5
0.661
MAT-POS-ddfe83c6-6
0.654
EDJ-MED-7587a9ee-3
0.644
EDJ-MED-4cb9dd84-3
0.640
VLA-UNK-5d8210f0-2
0.636
MAT-POS-38eb6498-5
0.634
EDJ-MED-40e596c8-2
0.634
ALP-POS-afe0272e-1
0.630
LUO-POS-ed2cfb03-2
0.626
EDJ-MED-b6c6ee2b-2
0.619
MAT-POS-69786b79-1
0.618
LUO-POS-e1dab717-1
0.618
MAT-POS-576f7758-1
0.618
MAT-POS-566864e2-3
0.618
ALP-POS-ecbed2ba-7
0.618
MAT-POS-566864e2-4
0.618
EDJ-MED-3707c4bc-2
0.613
MAT-POS-b4d6b7fc-7
0.612
PET-UNK-7e9559de-4
0.611
MAT-POS-96396902-1
0.611
ALP-POS-c3a90b22-7
0.611
PET-UNK-7e9559de-1
0.611
ALP-POS-c3a90b22-2
0.607
EDJ-MED-5cd3920d-6
0.605
MIK-ENA-f73d8b60-1
0.605
VLA-UNK-61877630-10
0.605
EDJ-MED-33064c06-1
0.605
EDJ-MED-59d5ca70-2
0.603
ALP-POS-ecbed2ba-10
0.602
EDJ-MED-33064c06-12
0.600
ALP-POS-ecbed2ba-18
0.598
VLA-UNK-5d8210f0-1
0.598
EDJ-MED-cc48ee33-3
0.593
ALP-POS-c3a90b22-4
0.591
MAT-POS-38eb6498-3
0.590
EDJ-MED-b6c6ee2b-1
0.590
LUO-POS-e1dab717-17
0.589
EDJ-MED-cc48ee33-4
0.588
ALP-POS-ecbed2ba-20
0.587
ALP-POS-ecbed2ba-13
0.586
ALP-POS-ecbed2ba-3
0.584
EDJ-MED-3707c4bc-1
0.584
ALP-POS-ecbed2ba-19
0.583
MAT-POS-b4d6b7fc-6
0.579
PET-UNK-eeb64427-1
0.579