Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)N=C(N)N(c2cncc4ccccc24)C3=O)CC1 |
MW: | 520.11 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 132.75 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-c2d406ed-3
EDG-MED-b6bce001-2
0.783
LUO-POS-eaf50f21-2
0.761
LUO-POS-eaf50f21-4
0.761
LUO-POS-eaf50f21-5
0.757
LUO-POS-b5068a05-2
0.755
LUO-POS-b5068a05-1
0.741
LUO-POS-eaf50f21-3
0.735
EDG-MED-00af8776-1
0.670
EDG-MED-0c930815-1
0.670
EDG-MED-b6bce001-1
0.670
MIK-ENA-5d9157e9-1
0.643
EDJ-MED-8bb691af-6
0.643
MIK-ENA-5d9157e9-2
0.643
ALP-POS-ecbed2ba-4
0.643
MAT-POS-1bed62cf-1
0.637
LUO-POS-868e8996-9
0.637
LUO-POS-868e8996-10
0.637
MIC-UNK-eb20c3e1-3
0.635
MIK-ENA-f156d06e-1
0.632
MAT-POS-c2d406ed-1
0.632
PET-UNK-94036022-6
0.632
PET-UNK-94036022-13
0.632
MAT-POS-c2d406ed-4
0.629
PET-UNK-143b31ee-2
0.629
PET-UNK-143b31ee-1
0.629
PET-UNK-143b31ee-4
0.629
PET-UNK-143b31ee-5
0.629
LUO-POS-f7b1afe6-1
0.625
ALP-POS-01611061-2
0.625
EDJ-MED-cbbe2dbb-1
0.624
MIC-UNK-7b6fe9e8-1
0.624
MIC-UNK-7b6fe9e8-2
0.621
MAT-POS-c2d406ed-2
0.621
MAT-POS-c2d406ed-3
0.615
EDJ-MED-a12e3a20-1
0.614
EDJ-MED-7e491f08-1
0.614
ALP-POS-133e7cd9-2
0.612
PET-UNK-143b31ee-3
0.610
PET-UNK-143b31ee-6
0.610
ALP-POS-01611061-3
0.609
ALP-POS-ecbed2ba-8
0.603
MAT-POS-50a80394-8
0.603
ALP-POS-01611061-1
0.603
LUO-POS-f7b1afe6-2
0.603
MAT-POS-b3212acf-2
0.602
MIC-UNK-257d841f-1
0.602
ALP-POS-ecbed2ba-15
0.593
MIK-ENA-99706bb8-1
0.593
MIK-ENA-17e27e9c-1
0.593
MIK-ENA-623fe2a6-1
0.593
MIK-ENA-2c0ad173-1
0.593
MIK-ENA-be04d1d4-1
0.593
MIK-ENA-e143773d-1
0.593
MIK-ENA-edcfce18-1
0.593
MIK-ENA-0547b12c-1
0.593
MAT-POS-50a80394-1
0.593
MAT-POS-50a80394-2
0.593
EDJ-MED-8bb691af-5
0.590
MAT-POS-b3212acf-1
0.583
MAT-POS-50a80394-3
0.583
LUO-POS-e1dab717-15
0.580
LUO-POS-5857a86a-2
0.576
MIC-UNK-c85ea37c-3
0.576
LUO-POS-e1dab717-16
0.575
ALP-POS-ecbed2ba-11
0.574
MIC-UNK-257d841f-2
0.574
LUO-POS-5857a86a-1
0.570
ALP-POS-ecbed2ba-2
0.569
EDJ-MED-8bb691af-2
0.569
EDJ-MED-4138fde9-7
0.562
MIC-UNK-c85ea37c-2
0.553
MIC-UNK-7b6fe9e8-3
0.553
PET-UNK-94036022-9
0.551
EDJ-MED-b6c6ee2b-4
0.551
PET-UNK-94036022-2
0.551
PET-UNK-94036022-4
0.551
PET-UNK-94036022-11
0.551
MIC-UNK-c85ea37c-1
0.547
JOH-MSK-949975c8-1
0.541
VLA-UNK-61877630-8
0.528
VLA-UNK-e334495f-2
0.528
EDJ-MED-accc2c4d-3
0.521
ALP-POS-c3a90b22-7
0.521
VLA-UNK-61877630-7
0.520
JOH-MSK-ccc6e4c0-1
0.520
VLA-UNK-e334495f-1
0.520
EDJ-MED-5cd3920d-5
0.516
MAT-POS-853c0ffa-13
0.516
ALP-POS-ecbed2ba-22
0.516
EDJ-MED-accc2c4d-1
0.512
EDJ-MED-5cd3920d-2
0.512
ALP-POS-ecbed2ba-3
0.508
PET-UNK-94036022-3
0.508
PET-UNK-94036022-10
0.508
VLA-UNK-e334495f-4
0.508
EDJ-MED-9f4ac58c-2
0.504
EDJ-MED-cbbe2dbb-2
0.500
ALP-POS-c56c1477-4
0.500
MAT-POS-89bd6af1-1
0.500
MAT-POS-1d5ab790-1
0.500