Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)N=CN(c2cncc4ccccc24)C3=O)CC1 |
MW: | 505.1 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 106.73 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-08 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDG-MED-00af8776-1
1.000
EDG-MED-0c930815-1
1.000
LUO-POS-eaf50f21-1
0.670
MIK-ENA-fe164c2a-1
0.661
EDG-MED-b6bce001-2
0.649
LUO-POS-eaf50f21-2
0.632
LUO-POS-eaf50f21-4
0.632
LUO-POS-b5068a05-2
0.627
LUO-POS-eaf50f21-5
0.617
LUO-POS-b5068a05-1
0.617
ALP-POS-01611061-2
0.616
LUO-POS-f7b1afe6-1
0.616
LUO-POS-eaf50f21-3
0.612
MAT-POS-50a80394-8
0.609
ALP-POS-01611061-1
0.609
LUO-POS-f7b1afe6-2
0.609
MIC-UNK-257d841f-1
0.607
MAT-POS-b3212acf-2
0.607
MIK-ENA-5d9157e9-2
0.605
EDJ-MED-a12e3a20-1
0.605
EDJ-MED-7e491f08-1
0.605
ALP-POS-ecbed2ba-4
0.605
MIK-ENA-5d9157e9-1
0.605
EDJ-MED-8bb691af-6
0.605
ALP-POS-01611061-3
0.600
MAT-POS-50a80394-1
0.598
MIK-ENA-99706bb8-1
0.598
MIK-ENA-17e27e9c-1
0.598
MIK-ENA-623fe2a6-1
0.598
MIK-ENA-2c0ad173-1
0.598
ALP-POS-133e7cd9-2
0.590
LUO-POS-5857a86a-1
0.588
EDJ-MED-8bb691af-2
0.588
MAT-POS-1bed62cf-1
0.586
LUO-POS-868e8996-9
0.586
LUO-POS-868e8996-10
0.586
MAT-POS-50a80394-2
0.585
MIC-UNK-eb20c3e1-3
0.585
MIC-UNK-7b6fe9e8-2
0.585
MAT-POS-c2d406ed-2
0.585
MIK-ENA-be04d1d4-1
0.585
MIK-ENA-e143773d-1
0.585
MIK-ENA-edcfce18-1
0.585
MIK-ENA-0547b12c-1
0.585
MAT-POS-c2d406ed-1
0.581
PET-UNK-94036022-6
0.581
PET-UNK-94036022-13
0.581
LUO-POS-5857a86a-2
0.581
MIK-ENA-f156d06e-1
0.581
EDJ-MED-8bb691af-5
0.581
MAT-POS-c2d406ed-3
0.580
MAT-POS-c2d406ed-4
0.580
MAT-POS-b3212acf-1
0.575
MAT-POS-50a80394-3
0.575
EDJ-MED-cbbe2dbb-1
0.575
MIC-UNK-7b6fe9e8-1
0.575
LUO-POS-e1dab717-15
0.571
MIC-UNK-7b6fe9e8-3
0.570
ALP-POS-ecbed2ba-8
0.568
PET-UNK-143b31ee-2
0.567
PET-UNK-143b31ee-1
0.567
PET-UNK-143b31ee-4
0.567
PET-UNK-143b31ee-5
0.567
LUO-POS-e1dab717-16
0.567
MIC-UNK-257d841f-2
0.566
PET-UNK-143b31ee-3
0.562
PET-UNK-143b31ee-6
0.562
ALP-POS-ecbed2ba-15
0.558
MIC-UNK-c85ea37c-3
0.556
ALP-POS-ecbed2ba-11
0.540
MIC-UNK-c85ea37c-1
0.539
ALP-POS-ecbed2ba-2
0.536
MIC-UNK-c85ea37c-2
0.534
EDJ-MED-4138fde9-7
0.528
JOH-MSK-949975c8-1
0.522
PET-UNK-94036022-2
0.517
PET-UNK-94036022-9
0.517
VLA-UNK-e334495f-2
0.508
VLA-UNK-61877630-8
0.508
EDJ-MED-b6c6ee2b-4
0.504
PET-UNK-94036022-4
0.504
PET-UNK-94036022-11
0.504
EDJ-MED-fd8ed875-1
0.504
ALP-POS-c56c1477-4
0.504
MAT-POS-89bd6af1-1
0.504
PET-UNK-6da3dcd8-10
0.504
VLA-UNK-61877630-7
0.500
VLA-UNK-e334495f-1
0.500
VLA-UNK-e334495f-4
0.500
EDJ-MED-accc2c4d-3
0.500
ALP-POS-c3a90b22-7
0.500
ALP-POS-ecbed2ba-22
0.496
PET-UNK-6da3dcd8-9
0.496
VLA-UNK-61877630-9
0.492
VLA-UNK-e334495f-3
0.492
EDJ-MED-accc2c4d-1
0.492
JOH-MSK-ccc6e4c0-1
0.488
MAT-POS-853c0ffa-13
0.484
EDJ-MED-5cd3920d-1
0.481
EDJ-MED-5cd3920d-2
0.481