Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)C(=O)N(c2cncc4ccccc24)CC32CC2)CC1 |
MW: | 532.13 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-02-05 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
LUO-POS-f7b1afe6-1
1.000
ALP-POS-01611061-3
0.946
EDJ-MED-7e491f08-1
0.798
MAT-POS-50a80394-8
0.782
ALP-POS-01611061-1
0.782
LUO-POS-f7b1afe6-2
0.782
ALP-POS-ecbed2ba-4
0.695
MIK-ENA-5d9157e9-1
0.695
EDJ-MED-8bb691af-6
0.695
MIK-ENA-5d9157e9-2
0.695
EDJ-MED-a12e3a20-1
0.679
ALP-POS-133e7cd9-2
0.676
MAT-POS-50a80394-1
0.655
MAT-POS-50a80394-2
0.655
MIK-ENA-99706bb8-1
0.655
MIK-ENA-17e27e9c-1
0.655
MIK-ENA-623fe2a6-1
0.655
MIK-ENA-2c0ad173-1
0.655
MIK-ENA-be04d1d4-1
0.655
MIK-ENA-e143773d-1
0.655
MIK-ENA-edcfce18-1
0.655
MIK-ENA-0547b12c-1
0.655
EDJ-MED-8bb691af-5
0.651
ALP-POS-ecbed2ba-8
0.651
MIC-UNK-257d841f-1
0.649
MAT-POS-b3212acf-2
0.649
MAT-POS-b3212acf-1
0.643
MAT-POS-50a80394-3
0.643
ALP-POS-ecbed2ba-15
0.640
MIC-UNK-257d841f-2
0.632
MAT-POS-1bed62cf-1
0.627
LUO-POS-868e8996-9
0.627
LUO-POS-868e8996-10
0.627
LUO-POS-eaf50f21-1
0.625
LUO-POS-e1dab717-15
0.625
LUO-POS-5857a86a-2
0.622
MIK-ENA-f156d06e-1
0.622
MAT-POS-c2d406ed-1
0.622
PET-UNK-143b31ee-1
0.619
PET-UNK-143b31ee-4
0.619
LUO-POS-e1dab717-16
0.619
ALP-POS-ecbed2ba-11
0.617
EDG-MED-00af8776-1
0.616
EDG-MED-0c930815-1
0.616
EDG-MED-b6bce001-1
0.616
ALP-POS-ecbed2ba-2
0.612
PET-UNK-94036022-6
0.607
PET-UNK-94036022-13
0.607
PET-UNK-143b31ee-2
0.605
PET-UNK-143b31ee-5
0.605
EDJ-MED-4138fde9-7
0.605
EDG-MED-b6bce001-2
0.605
MAT-POS-c2d406ed-4
0.605
MIC-UNK-c85ea37c-3
0.605
LUO-POS-f7b1afe6-3
0.604
LUO-POS-eaf50f21-4
0.603
MIC-UNK-c85ea37c-1
0.600
EDJ-MED-8bb691af-2
0.600
VLA-UNK-e334495f-2
0.596
MIC-UNK-eb20c3e1-3
0.596
MIC-UNK-7b6fe9e8-2
0.596
MAT-POS-c2d406ed-2
0.596
VLA-UNK-61877630-8
0.596
PET-UNK-94036022-2
0.595
PET-UNK-94036022-9
0.595
MAT-POS-c2d406ed-3
0.591
LUO-POS-eaf50f21-2
0.590
LUO-POS-b5068a05-1
0.588
PET-UNK-143b31ee-3
0.586
PET-UNK-143b31ee-6
0.586
LUO-POS-5857a86a-1
0.586
EDJ-MED-cbbe2dbb-1
0.586
MIC-UNK-7b6fe9e8-1
0.586
LUO-POS-b5068a05-2
0.585
MIC-UNK-7b6fe9e8-3
0.581
LUO-POS-eaf50f21-5
0.575
LUO-POS-eaf50f21-3
0.570
ALP-POS-ecbed2ba-22
0.569
MIC-UNK-c85ea37c-2
0.567
EDJ-MED-b6c6ee2b-4
0.566
VLA-UNK-61877630-7
0.560
VLA-UNK-e334495f-1
0.560
VLA-UNK-61877630-9
0.552
VLA-UNK-e334495f-3
0.552
PET-UNK-94036022-3
0.549
PET-UNK-94036022-10
0.549
EDJ-MED-accc2c4d-3
0.549
ALP-POS-ecbed2ba-3
0.549
ALP-POS-c3a90b22-7
0.548
VLA-UNK-e334495f-4
0.547
EDJ-MED-5cd3920d-5
0.543
MAT-POS-853c0ffa-13
0.542
PET-UNK-94036022-4
0.539
PET-UNK-94036022-11
0.539
EDJ-MED-accc2c4d-1
0.539
EDJ-MED-5cd3920d-6
0.530
VLA-UNK-61877630-10
0.530
EDJ-MED-9f4ac58c-2
0.530
ALP-POS-ecbed2ba-6
0.530
PET-UNK-6da3dcd8-10
0.526