Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)NCC1(O)CCC1 |
| MW: | 504.19 |
| Fraction sp3: | 0.39 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 85.77 |
| cLogP: | 3.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ecbed2ba-12
MAT-POS-e75f6e44-1
0.935
MAT-POS-e75f6e44-19
0.848
MAT-POS-e75f6e44-15
0.848
MAT-POS-e75f6e44-5
0.837
MAT-POS-e75f6e44-2
0.828
EDJ-MED-6b23330e-5
0.828
MAT-POS-e75f6e44-4
0.828
MAT-POS-e75f6e44-11
0.822
MAT-POS-e75f6e44-7
0.820
ALP-POS-ecbed2ba-14
0.818
MAT-POS-e75f6e44-6
0.812
MAT-POS-e75f6e44-12
0.812
EDJ-MED-33064c06-16
0.804
MAT-POS-e75f6e44-10
0.804
MAT-POS-c7726e07-5
0.794
LUO-POS-868e8996-12
0.794
MAT-POS-c7726e07-6
0.794
EDJ-MED-8bb691af-4
0.794
LUO-POS-868e8996-11
0.794
ALP-POS-ecbed2ba-12
0.782
BRU-THA-ae0174a8-1
0.782
MAT-POS-566864e2-2
0.782
MAT-POS-566864e2-1
0.782
MAT-POS-e75f6e44-13
0.777
EDJ-MED-6b23330e-1
0.775
EDJ-MED-6b23330e-2
0.775
EDJ-MED-6b23330e-7
0.775
LUO-POS-e1dab717-19
0.773
EDJ-MED-6b23330e-4
0.767
EDJ-MED-6b23330e-6
0.760
MAT-POS-69786b79-3
0.755
MAT-POS-e75f6e44-14
0.752
EDJ-MED-6b23330e-3
0.748
MAT-POS-69786b79-2
0.748
MAT-POS-e75f6e44-18
0.745
MAT-POS-e75f6e44-20
0.745
MAT-POS-69786b79-4
0.743
MAT-POS-e75f6e44-3
0.740
MAT-POS-e75f6e44-16
0.738
MAT-POS-e75f6e44-21
0.738
MIK-ENA-1494235a-1
0.731
MIK-ENA-4ed700b1-1
0.731
MIK-ENA-4a1c9a78-1
0.731
MAT-POS-e75f6e44-9
0.706
MAT-POS-e75f6e44-8
0.706
MIK-ENA-9eb8d9fb-1
0.700
EDJ-MED-33064c06-14
0.694
ALP-POS-133e7cd9-1
0.692
ALP-POS-c3a90b22-6
0.679
VLA-UNK-3bd6fc51-1
0.663
EDJ-MED-40e596c8-3
0.658
EDJ-MED-40e596c8-1
0.654
EDJ-MED-33064c06-8
0.645
MAT-POS-ddfe83c6-6
0.645
PET-UNK-7e9559de-4
0.631
MAT-POS-96396902-1
0.631
EDJ-MED-4cb9dd84-3
0.631
PET-UNK-7e9559de-1
0.631
ALP-POS-c3a90b22-7
0.631
ALP-POS-c3a90b22-2
0.627
MAT-POS-38eb6498-5
0.625
EDJ-MED-40e596c8-2
0.625
LUO-POS-b4dec3be-1
0.622
MIK-ENA-610c7cf9-1
0.622
LUO-POS-b4dec3be-2
0.622
MAT-POS-b4d6b7fc-5
0.622
MIK-ENA-4bb8c98f-1
0.622
LUO-POS-ed2cfb03-2
0.617
VLA-UNK-5d8210f0-2
0.613
EDJ-MED-b6c6ee2b-2
0.611
MAT-POS-69786b79-1
0.609
LUO-POS-e1dab717-1
0.609
MAT-POS-566864e2-4
0.609
ALP-POS-ecbed2ba-7
0.609
MAT-POS-576f7758-1
0.609
MAT-POS-566864e2-3
0.609
ALP-POS-ecbed2ba-20
0.607
EDJ-MED-accc2c4d-1
0.607
ALP-POS-afe0272e-1
0.606
ALP-POS-ecbed2ba-8
0.605
EDJ-MED-7587a9ee-3
0.604
MIK-ENA-f73d8b60-1
0.596
EDJ-MED-59d5ca70-2
0.595
MAT-POS-b4d6b7fc-7
0.590
ALP-POS-ecbed2ba-18
0.589
VLA-UNK-5d8210f0-1
0.589
EDJ-MED-accc2c4d-3
0.589
EDJ-MED-cc48ee33-3
0.584
ALP-POS-c3a90b22-4
0.583
EDJ-MED-3af0740c-1
0.583
EDJ-MED-b6c6ee2b-1
0.582
MAT-POS-38eb6498-3
0.582
ALP-POS-ecbed2ba-15
0.581
ALP-POS-ecbed2ba-16
0.581
MAT-POS-be048f2c-7
0.581
EDJ-MED-cc48ee33-4
0.579
PET-UNK-94036022-9
0.579
PET-UNK-94036022-2
0.579
EDJ-MED-33064c06-2
0.579
MAT-POS-be048f2c-8
0.576