Molecular Properties | |
SMILES: | CNC1=NC2(CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 534.12 |
Fraction sp3: | 0.31 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 118.76 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-c2d406ed-3
LUO-POS-b5068a05-1
0.843
LUO-POS-eaf50f21-5
0.843
LUO-POS-b5068a05-2
0.841
LUO-POS-eaf50f21-3
0.835
EDG-MED-b6bce001-2
0.771
LUO-POS-eaf50f21-1
0.761
LUO-POS-eaf50f21-4
0.750
EDG-MED-00af8776-1
0.632
EDG-MED-0c930815-1
0.632
EDG-MED-b6bce001-1
0.632
MAT-POS-c2d406ed-4
0.622
EDJ-MED-cbbe2dbb-1
0.617
MIC-UNK-7b6fe9e8-1
0.617
MAT-POS-1bed62cf-1
0.615
LUO-POS-868e8996-9
0.615
LUO-POS-868e8996-10
0.615
MIC-UNK-eb20c3e1-3
0.613
MIC-UNK-7b6fe9e8-2
0.613
MAT-POS-c2d406ed-2
0.613
MIK-ENA-f156d06e-1
0.610
MAT-POS-c2d406ed-1
0.610
PET-UNK-94036022-6
0.610
PET-UNK-94036022-13
0.610
PET-UNK-143b31ee-1
0.608
PET-UNK-143b31ee-4
0.608
ALP-POS-ecbed2ba-4
0.607
MIK-ENA-5d9157e9-1
0.607
EDJ-MED-8bb691af-6
0.607
MIK-ENA-5d9157e9-2
0.607
MAT-POS-c2d406ed-3
0.595
PET-UNK-143b31ee-2
0.595
PET-UNK-143b31ee-5
0.595
PET-UNK-143b31ee-3
0.590
PET-UNK-143b31ee-6
0.590
LUO-POS-f7b1afe6-1
0.590
ALP-POS-01611061-2
0.590
MAT-POS-50a80394-2
0.587
MIK-ENA-be04d1d4-1
0.587
MIK-ENA-e143773d-1
0.587
MIK-ENA-edcfce18-1
0.587
MIK-ENA-0547b12c-1
0.587
MAT-POS-50a80394-8
0.583
ALP-POS-01611061-1
0.583
LUO-POS-f7b1afe6-2
0.583
EDJ-MED-a12e3a20-1
0.580
EDJ-MED-7e491f08-1
0.580
ALP-POS-133e7cd9-2
0.579
ALP-POS-01611061-3
0.575
MAT-POS-50a80394-1
0.574
MIK-ENA-99706bb8-1
0.574
MIK-ENA-17e27e9c-1
0.574
MIK-ENA-623fe2a6-1
0.574
MIK-ENA-2c0ad173-1
0.574
MIC-UNK-c85ea37c-3
0.570
ALP-POS-ecbed2ba-8
0.570
MAT-POS-b3212acf-2
0.569
MIC-UNK-257d841f-1
0.569
MAT-POS-b3212acf-1
0.565
MAT-POS-50a80394-3
0.565
LUO-POS-5857a86a-1
0.565
EDJ-MED-8bb691af-2
0.563
ALP-POS-ecbed2ba-15
0.561
MIC-UNK-7b6fe9e8-3
0.560
MIC-UNK-c85ea37c-2
0.560
EDJ-MED-8bb691af-5
0.557
LUO-POS-5857a86a-2
0.557
LUO-POS-e1dab717-16
0.556
LUO-POS-e1dab717-15
0.548
EDJ-MED-4138fde9-7
0.544
ALP-POS-ecbed2ba-11
0.543
MIC-UNK-257d841f-2
0.543
ALP-POS-ecbed2ba-2
0.539
JOH-MSK-949975c8-1
0.537
PET-UNK-94036022-4
0.533
PET-UNK-94036022-11
0.533
PET-UNK-94036022-9
0.520
EDJ-MED-b6c6ee2b-4
0.520
PET-UNK-94036022-2
0.520
MIC-UNK-c85ea37c-1
0.519
JOH-MSK-ccc6e4c0-1
0.516
VLA-UNK-61877630-8
0.512
VLA-UNK-e334495f-2
0.512
ALP-POS-c56c1477-4
0.508
MAT-POS-89bd6af1-1
0.508
MAT-POS-38eb6498-2
0.504
EDJ-MED-5cd3920d-2
0.496
MAT-POS-1d5ab790-1
0.496
MAT-POS-853c0ffa-5
0.496
VLA-UNK-61877630-7
0.492
VLA-UNK-e334495f-1
0.492
ALP-POS-c3a90b22-7
0.492
PET-UNK-94036022-5
0.492
ALP-POS-ecbed2ba-3
0.492
PET-UNK-94036022-3
0.492
PET-UNK-94036022-10
0.492
PET-UNK-94036022-12
0.492
EDJ-MED-accc2c4d-3
0.492
MAT-POS-853c0ffa-13
0.488
ALP-POS-ecbed2ba-22
0.488
PET-UNK-6da3dcd8-9
0.488