Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccc(Cl)cc34)C2=O)c2cc(Cl)ccc2C1=O)NCC1CC1 |
MW: | 522.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.61 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-22 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ALP-POS-ecbed2ba-12
MIK-ENA-434a856c-1
1.000
MIK-ENA-93ef1e28-1
1.000
EDJ-MED-4cb9dd84-1
0.808
EDG-MED-b1ef7fe3-1
0.792
LUO-POS-8c3e556a-1
0.792
LUO-POS-8c3e556a-2
0.792
ALP-POS-c3a90b22-11
0.767
EDJ-MED-33064c06-4
0.710
EDJ-MED-33064c06-9
0.710
ALP-POS-c3a90b22-12
0.710
EDJ-MED-33064c06-6
0.697
MAT-POS-ddfe83c6-1
0.673
EDJ-MED-4cb9dd84-3
0.673
EDJ-MED-b6c6ee2b-6
0.670
EDG-MED-b1ef7fe3-2
0.670
MAT-POS-38eb6498-6
0.657
EDJ-MED-33064c06-2
0.648
EDJ-MED-33064c06-8
0.642
PET-UNK-14142a25-1
0.638
LUO-POS-9931618f-1
0.638
LUO-POS-9931618f-2
0.638
PET-UNK-14142a25-10
0.638
EDJ-MED-8bb691af-8
0.638
MIK-ENA-37e0b697-1
0.638
MIK-ENA-794411b8-1
0.638
EDJ-MED-3af0740c-1
0.636
EDJ-MED-33064c06-1
0.636
EDJ-MED-33064c06-18
0.633
EDJ-MED-33064c06-5
0.631
EDJ-MED-33064c06-12
0.631
EDJ-MED-33064c06-14
0.631
EDJ-MED-b6c6ee2b-5
0.629
MAT-POS-38eb6498-4
0.629
JOH-MSK-4bb3d434-1
0.626
EDJ-MED-33064c06-3
0.625
EDJ-MED-33064c06-10
0.625
LUO-POS-e1dab717-4
0.624
EDG-MED-b1ef7fe3-4
0.623
EDJ-MED-33064c06-17
0.619
EDJ-MED-3af0740c-2
0.608
EDJ-MED-33064c06-15
0.593
EDJ-MED-3af0740c-3
0.585
EDJ-MED-40e596c8-5
0.584
EDJ-MED-59d5ca70-1
0.581
EDG-MED-b1ef7fe3-3
0.575
EDJ-MED-40e596c8-4
0.569
PET-UNK-c6bcc80b-6
0.568
PET-UNK-c6bcc80b-13
0.568
EDJ-MED-7d88f880-1
0.556
ALP-POS-c3a90b22-5
0.553
MAT-POS-1d5ab790-3
0.553
MAT-POS-853c0ffa-1
0.553
MAT-POS-566864e2-2
0.548
ALP-POS-ecbed2ba-12
0.548
MAT-POS-566864e2-1
0.548
PET-UNK-aa57768f-2
0.545
PET-UNK-aa57768f-3
0.545
PET-UNK-aa57768f-8
0.545
PET-UNK-aa57768f-9
0.545
PET-UNK-14142a25-11
0.544
PET-UNK-14142a25-2
0.544
MAT-POS-ddfe83c6-6
0.540
PET-UNK-6af7266d-1
0.530
PET-UNK-6af7266d-3
0.530
LUO-POS-e1dab717-3
0.522
EDJ-MED-b6c6ee2b-7
0.521
MAT-POS-e75f6e44-13
0.521
EDJ-MED-5cd3920d-3
0.521
LUO-POS-e1dab717-6
0.521
LUO-POS-e1dab717-12
0.521
PET-UNK-37c7074c-1
0.517
PET-UNK-37c7074c-3
0.517
PET-UNK-37c7074c-2
0.517
PET-UNK-37c7074c-4
0.517
EDJ-MED-cc48ee33-7
0.517
EDJ-MED-0d144977-3
0.517
EDJ-MED-4138fde9-5
0.516
PET-UNK-aa57768f-1
0.513
PET-UNK-aa57768f-7
0.513
EDJ-MED-0d144977-2
0.513
EDJ-MED-0d144977-5
0.513
MIK-ENA-f73d8b60-1
0.513
LUO-POS-e1dab717-8
0.512
ALP-POS-c3a90b22-8
0.508
EDJ-MED-5cd3920d-4
0.508
EDJ-MED-0d144977-1
0.504
PET-UNK-4c71d490-3
0.504
PET-UNK-4c71d490-7
0.504
EDJ-MED-0d144977-4
0.500
LUO-POS-e1dab717-2
0.496
MAT-POS-e48723dc-1
0.496
EDJ-MED-976a33d5-1
0.496
MAT-POS-576f7758-2
0.496
MAT-POS-e48723dc-2
0.496
EDJ-MED-dfa1d800-1
0.492
EDJ-MED-dfa1d800-5
0.492
EDJ-MED-cc48ee33-2
0.492
EDJ-MED-33064c06-11
0.488
ALP-POS-c3a90b22-9
0.488
MAT-POS-e75f6e44-20
0.488