Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O)NCC1COC1 |
MW: | 504.16 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-22 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Oxetanes, thietanes
EDJ-MED-33064c06-9
1.000
EDJ-MED-4cb9dd84-1
0.878
ALP-POS-c3a90b22-11
0.851
EDJ-MED-33064c06-4
0.843
EDJ-MED-33064c06-6
0.827
EDJ-MED-33064c06-2
0.794
EDJ-MED-8bb691af-8
0.770
MIK-ENA-37e0b697-1
0.770
PET-UNK-14142a25-1
0.770
LUO-POS-9931618f-1
0.770
MIK-ENA-794411b8-1
0.770
LUO-POS-9931618f-2
0.770
PET-UNK-14142a25-10
0.770
EDJ-MED-33064c06-8
0.769
EDJ-MED-3af0740c-1
0.762
EDJ-MED-33064c06-1
0.762
EDJ-MED-33064c06-18
0.760
EDJ-MED-33064c06-5
0.755
EDJ-MED-33064c06-12
0.755
EDJ-MED-33064c06-14
0.755
EDJ-MED-33064c06-3
0.748
EDJ-MED-33064c06-10
0.748
EDJ-MED-33064c06-17
0.741
JOH-MSK-4bb3d434-1
0.738
EDJ-MED-33064c06-15
0.713
MIK-ENA-434a856c-1
0.710
MIK-ENA-93ef1e28-1
0.710
EDJ-MED-4cb9dd84-2
0.710
MAT-POS-e75f6e44-14
0.700
EDJ-MED-40e596c8-5
0.673
ALP-POS-c3a90b22-5
0.670
EDJ-MED-40e596c8-4
0.670
PET-UNK-aa57768f-2
0.667
PET-UNK-aa57768f-8
0.667
PET-UNK-aa57768f-3
0.667
PET-UNK-aa57768f-9
0.667
PET-UNK-37c7074c-1
0.661
PET-UNK-37c7074c-3
0.661
PET-UNK-14142a25-2
0.661
PET-UNK-14142a25-11
0.661
EDJ-MED-59d5ca70-1
0.652
PET-UNK-37c7074c-2
0.645
PET-UNK-37c7074c-4
0.645
EDJ-MED-cc48ee33-7
0.643
EDJ-MED-0d144977-3
0.643
PET-UNK-aa57768f-1
0.640
PET-UNK-aa57768f-7
0.640
EDG-MED-b1ef7fe3-4
0.639
PET-UNK-6af7266d-3
0.631
PET-UNK-6af7266d-1
0.631
EDJ-MED-0d144977-1
0.628
EDJ-MED-0d144977-2
0.625
LUO-POS-8c3e556a-1
0.624
EDG-MED-b1ef7fe3-1
0.624
LUO-POS-8c3e556a-2
0.624
ALP-POS-c3a90b22-3
0.612
EDJ-MED-98c0a822-4
0.612
EDJ-MED-cc48ee33-2
0.612
EDJ-MED-33064c06-13
0.612
EDJ-MED-0d144977-4
0.609
EDJ-MED-0d144977-5
0.609
ALP-POS-ecbed2ba-12
0.605
MAT-POS-576f7758-2
0.605
EDJ-MED-976a33d5-1
0.605
LUO-POS-e1dab717-2
0.605
MAT-POS-e48723dc-1
0.605
MAT-POS-e48723dc-2
0.605
MAT-POS-566864e2-1
0.605
MAT-POS-566864e2-2
0.605
EDJ-MED-33064c06-11
0.605
ALP-POS-c3a90b22-9
0.605
ALP-POS-c3a90b22-8
0.603
MAT-POS-38eb6498-6
0.600
EDJ-MED-7d88f880-1
0.598
VLA-UNK-8e615992-2
0.596
EDJ-MED-b6c6ee2b-6
0.596
EDG-MED-b1ef7fe3-2
0.596
VLA-UNK-61877630-5
0.596
ALP-POS-c3a90b22-1
0.595
EDJ-MED-98c0a822-3
0.595
ALP-POS-afe0272e-2
0.595
MAT-POS-e75f6e44-18
0.593
MAT-POS-e75f6e44-20
0.593
EDG-MED-b1ef7fe3-3
0.591
MAT-POS-e75f6e44-13
0.590
MAT-POS-ddfe83c6-1
0.586
EDJ-MED-fed7ac0b-1
0.578
EDJ-MED-9f4ac58c-6
0.576
MAT-POS-e75f6e44-21
0.575
LUO-POS-e1dab717-12
0.575
MAT-POS-e75f6e44-16
0.575
VLA-UNK-61877630-4
0.574
VLA-UNK-8e615992-1
0.574
PET-UNK-4c71d490-3
0.573
PET-UNK-4c71d490-7
0.573
PET-UNK-aa57768f-5
0.570
PET-UNK-aa57768f-6
0.570
PET-UNK-aa57768f-11
0.570
PET-UNK-aa57768f-12
0.570
EDJ-MED-9f4ac58c-2
0.568