Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2CC3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 520.1 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 111.44 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-9f4ac58c-6
0.794
EDJ-MED-9f4ac58c-1
0.792
EDJ-MED-7d88f880-3
0.750
ALP-POS-c3a90b22-8
0.743
EDJ-MED-9f4ac58c-4
0.741
EDJ-MED-9f4ac58c-3
0.721
EDJ-MED-fed7ac0b-3
0.691
PET-UNK-aa57768f-2
0.686
PET-UNK-aa57768f-8
0.686
EDJ-MED-33064c06-17
0.667
PET-UNK-aa57768f-3
0.654
PET-UNK-aa57768f-9
0.654
MIK-ENA-5d9157e9-1
0.645
MIK-ENA-5d9157e9-2
0.645
ALP-POS-ecbed2ba-4
0.645
EDJ-MED-8bb691af-6
0.645
EDJ-MED-33064c06-15
0.640
EDJ-MED-9f4ac58c-5
0.631
LUO-POS-9931618f-1
0.626
PET-UNK-14142a25-1
0.626
MIK-ENA-37e0b697-1
0.626
MIK-ENA-794411b8-1
0.626
LUO-POS-9931618f-2
0.626
EDJ-MED-8bb691af-8
0.626
PET-UNK-14142a25-10
0.626
PET-UNK-37c7074c-1
0.618
PET-UNK-37c7074c-3
0.618
EDJ-MED-40e596c8-5
0.616
ALP-POS-c3a90b22-7
0.616
JOH-MSK-4bb3d434-1
0.615
EDJ-MED-0d144977-2
0.613
EDJ-MED-0d144977-5
0.611
EDJ-MED-33064c06-1
0.611
EDJ-MED-33064c06-2
0.607
EDJ-MED-33064c06-18
0.607
ALP-POS-ecbed2ba-8
0.605
PET-UNK-37c7074c-2
0.604
PET-UNK-37c7074c-4
0.604
PET-UNK-6af7266d-3
0.604
PET-UNK-6af7266d-1
0.604
EDJ-MED-0d144977-3
0.602
EDJ-MED-cc48ee33-7
0.602
EDJ-MED-33064c06-8
0.602
EDJ-MED-cbbe2dbb-2
0.602
VLA-UNK-61877630-7
0.600
VLA-UNK-e334495f-1
0.600
PET-UNK-aa57768f-5
0.600
PET-UNK-aa57768f-11
0.600
MIK-ENA-fe164c2a-1
0.600
PET-UNK-aa57768f-1
0.598
PET-UNK-aa57768f-7
0.598
ALP-POS-c3a90b22-5
0.598
ALP-POS-ecbed2ba-15
0.595
EDJ-MED-9f4ac58c-8
0.593
EDJ-MED-33064c06-14
0.591
EDJ-MED-0d144977-1
0.588
EDJ-MED-4cb9dd84-1
0.588
EDJ-MED-0d144977-4
0.583
EDJ-MED-3af0740c-1
0.583
VLA-UNK-61877630-8
0.581
VLA-UNK-e334495f-2
0.581
LUO-POS-e1dab717-2
0.579
EDJ-MED-976a33d5-1
0.579
MAT-POS-576f7758-2
0.579
MAT-POS-e48723dc-2
0.579
MAT-POS-e48723dc-1
0.579
EDJ-MED-9f4ac58c-7
0.579
EDJ-MED-33064c06-5
0.578
EDJ-MED-33064c06-12
0.578
EDJ-MED-4138fde9-7
0.576
ALP-POS-ecbed2ba-11
0.575
EDJ-MED-40e596c8-4
0.573
ALP-POS-c3a90b22-3
0.573
EDJ-MED-33064c06-13
0.573
EDJ-MED-98c0a822-4
0.573
ALP-POS-c3a90b22-11
0.573
EDJ-MED-33064c06-3
0.573
EDJ-MED-33064c06-10
0.573
PET-UNK-aa57768f-6
0.571
PET-UNK-aa57768f-12
0.571
ALP-POS-ecbed2ba-2
0.570
ALP-POS-c3a90b22-1
0.569
EDJ-MED-98c0a822-3
0.569
ALP-POS-c3a90b22-12
0.568
EDJ-MED-33064c06-9
0.568
EDJ-MED-33064c06-4
0.568
PET-UNK-94036022-2
0.565
PET-UNK-94036022-9
0.565
EDJ-MED-accc2c4d-3
0.561
EDJ-MED-accc2c4d-4
0.561
ALP-POS-133e7cd9-2
0.559
EDJ-MED-cc48ee33-2
0.559
MAT-POS-e75f6e44-11
0.559
EDJ-MED-59d5ca70-1
0.558
EDJ-MED-33064c06-6
0.558
EDJ-MED-accc2c4d-1
0.552
ALP-POS-ecbed2ba-3
0.548
PET-UNK-14142a25-2
0.548
PET-UNK-14142a25-11
0.548
EDJ-MED-accc2c4d-2
0.547