Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4ccc(OC)cc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 478.14 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.84 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDG-MED-b1ef7fe3-1
0.821
LUO-POS-8c3e556a-1
0.821
LUO-POS-8c3e556a-2
0.821
EDJ-MED-b6c6ee2b-5
0.792
MAT-POS-38eb6498-4
0.792
EDG-MED-b1ef7fe3-2
0.780
EDJ-MED-b6c6ee2b-6
0.780
MAT-POS-38eb6498-6
0.765
PET-UNK-14142a25-10
0.747
EDJ-MED-8bb691af-8
0.747
PET-UNK-14142a25-1
0.747
MIK-ENA-37e0b697-1
0.747
LUO-POS-9931618f-1
0.747
MIK-ENA-794411b8-1
0.747
LUO-POS-9931618f-2
0.747
LUO-POS-e1dab717-6
0.729
EDG-MED-b1ef7fe3-4
0.713
MIK-ENA-434a856c-1
0.673
MIK-ENA-93ef1e28-1
0.673
EDG-MED-b1ef7fe3-3
0.673
EDJ-MED-4cb9dd84-2
0.673
JOH-MSK-4bb3d434-1
0.667
PET-UNK-c6bcc80b-6
0.661
PET-UNK-c6bcc80b-13
0.661
EDJ-MED-b6c6ee2b-2
0.661
EDJ-MED-7d88f880-1
0.649
MAT-POS-1d5ab790-3
0.648
MAT-POS-853c0ffa-1
0.648
PET-UNK-14142a25-11
0.639
PET-UNK-14142a25-2
0.639
EDJ-MED-5cd3920d-3
0.623
EDJ-MED-4cb9dd84-1
0.622
EDJ-MED-33064c06-3
0.619
LUO-POS-e1dab717-5
0.619
EDJ-MED-3af0740c-1
0.616
EDJ-MED-33064c06-1
0.616
EDJ-MED-3af0740c-2
0.616
EDJ-MED-33064c06-2
0.613
EDJ-MED-33064c06-18
0.613
EDJ-MED-33064c06-5
0.611
EDJ-MED-33064c06-12
0.611
EDJ-MED-33064c06-8
0.607
PET-UNK-4c71d490-3
0.607
PET-UNK-4c71d490-7
0.607
ALP-POS-c3a90b22-11
0.605
ALP-POS-c3a90b22-5
0.604
EDJ-MED-33064c06-15
0.602
EDJ-MED-4138fde9-5
0.600
EDJ-MED-33064c06-14
0.596
LUO-POS-e1dab717-8
0.593
EDJ-MED-3af0740c-3
0.592
EDJ-MED-33064c06-10
0.591
EDJ-MED-33064c06-6
0.590
VLA-UNK-61877630-5
0.589
LUO-POS-e1dab717-4
0.589
VLA-UNK-8e615992-2
0.589
ALP-POS-afe0272e-2
0.587
EDJ-MED-33064c06-4
0.586
EDJ-MED-33064c06-17
0.586
EDJ-MED-33064c06-9
0.586
ALP-POS-c3a90b22-12
0.586
EDJ-MED-dfa1d800-1
0.571
EDJ-MED-dfa1d800-5
0.571
EDJ-MED-dfa1d800-2
0.566
EDJ-MED-dfa1d800-4
0.558
EDJ-MED-b6c6ee2b-7
0.556
PET-UNK-aa57768f-8
0.555
PET-UNK-aa57768f-2
0.555
PET-UNK-aa57768f-3
0.555
PET-UNK-aa57768f-9
0.555
MAT-POS-1bed62cf-2
0.553
LUO-POS-868e8996-7
0.553
LUO-POS-868e8996-8
0.553
VLA-UNK-61877630-4
0.553
PET-UNK-6af7266d-1
0.553
PET-UNK-6af7266d-3
0.553
VLA-UNK-8e615992-1
0.553
EDJ-MED-cc48ee33-7
0.552
EDJ-MED-0d144977-3
0.552
EDJ-MED-40e596c8-5
0.552
EDJ-MED-40e596c8-4
0.551
EDJ-MED-4138fde9-6
0.550
EDJ-MED-0d144977-2
0.548
EDJ-MED-dfa1d800-3
0.545
MAT-POS-e48723dc-2
0.543
LUO-POS-e1dab717-2
0.543
EDJ-MED-976a33d5-1
0.543
MAT-POS-576f7758-2
0.543
MAT-POS-e48723dc-1
0.543
EDJ-MED-5cd3920d-4
0.542
MAT-POS-38eb6498-3
0.536
EDJ-MED-b6c6ee2b-1
0.536
MAT-POS-ddfe83c6-6
0.535
ALP-POS-c3a90b22-1
0.534
EDJ-MED-98c0a822-3
0.534
EDJ-MED-0d144977-5
0.534
EDJ-MED-fed7ac0b-1
0.530
MIK-ENA-60569a44-1
0.528
EDJ-MED-b6c6ee2b-3
0.528
MIK-ENA-bb7b6957-1
0.528