Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)NC(=O)N(c2cncc4ccccc24)C3=O)CC1 |
MW: | 521.09 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 123.47 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
hydantoin
Hetero_hetero
MAT-POS-c2d406ed-1
1.000
MAT-POS-c2d406ed-3
0.816
JOH-MSK-ccc6e4c0-1
0.779
LUO-POS-5857a86a-2
0.704
PET-UNK-143b31ee-2
0.670
PET-UNK-143b31ee-5
0.670
LUO-POS-868e8996-9
0.649
LUO-POS-868e8996-10
0.649
MAT-POS-1bed62cf-1
0.649
PET-UNK-94036022-13
0.643
PET-UNK-94036022-6
0.643
PET-UNK-143b31ee-1
0.640
PET-UNK-143b31ee-4
0.640
LUO-POS-eaf50f21-1
0.632
MIC-UNK-7b6fe9e8-2
0.632
MAT-POS-c2d406ed-2
0.632
MIC-UNK-eb20c3e1-3
0.632
EDG-MED-b6bce001-2
0.626
MAT-POS-c2d406ed-4
0.626
LUO-POS-f7b1afe6-1
0.622
ALP-POS-01611061-2
0.622
PET-UNK-143b31ee-3
0.621
PET-UNK-143b31ee-6
0.621
EDJ-MED-cbbe2dbb-1
0.621
MIC-UNK-7b6fe9e8-1
0.621
MIK-ENA-5d9157e9-1
0.611
EDJ-MED-8bb691af-6
0.611
ALP-POS-ecbed2ba-4
0.611
EDJ-MED-7e491f08-1
0.611
MIK-ENA-5d9157e9-2
0.611
LUO-POS-eaf50f21-2
0.610
LUO-POS-eaf50f21-4
0.610
ALP-POS-01611061-3
0.605
LUO-POS-b5068a05-2
0.605
VLA-MRT-a639d434-2
0.602
VLA-MRT-8c78ee15-4
0.602
EDJ-MED-a12e3a20-1
0.596
LUO-POS-eaf50f21-5
0.595
LUO-POS-b5068a05-1
0.595
EDJ-MED-8bb691af-2
0.593
LUO-POS-eaf50f21-3
0.590
MIC-UNK-7b6fe9e8-3
0.588
EDJ-MED-8bb691af-5
0.586
ALP-POS-01611061-1
0.586
LUO-POS-f7b1afe6-2
0.586
MAT-POS-50a80394-8
0.586
MAT-POS-ddfe83c6-4
0.586
VLA-MRT-a639d434-1
0.586
VLA-MRT-8c78ee15-3
0.586
EDG-MED-b6bce001-1
0.581
ALP-POS-133e7cd9-2
0.581
EDG-MED-00af8776-1
0.581
EDG-MED-0c930815-1
0.581
LUO-POS-5857a86a-1
0.580
MAT-POS-50a80394-1
0.576
MAT-POS-50a80394-2
0.576
LUO-POS-e1dab717-15
0.576
MIK-ENA-99706bb8-1
0.576
MIK-ENA-17e27e9c-1
0.576
MIK-ENA-623fe2a6-1
0.576
MIK-ENA-2c0ad173-1
0.576
MIK-ENA-be04d1d4-1
0.576
MIK-ENA-e143773d-1
0.576
MIK-ENA-edcfce18-1
0.576
MIK-ENA-0547b12c-1
0.576
ALP-POS-ecbed2ba-8
0.573
MIC-UNK-257d841f-1
0.571
LUO-POS-e1dab717-16
0.571
MAT-POS-b3212acf-2
0.571
MAT-POS-b3212acf-1
0.567
MAT-POS-50a80394-3
0.567
ALP-POS-ecbed2ba-15
0.563
JOH-MSK-949975c8-1
0.562
PET-UNK-94036022-11
0.560
PET-UNK-94036022-4
0.560
MIC-UNK-257d841f-2
0.557
ALP-POS-ecbed2ba-2
0.553
ALP-POS-ecbed2ba-11
0.545
MIC-UNK-c85ea37c-1
0.543
PET-UNK-6da3dcd8-9
0.538
MIC-UNK-c85ea37c-3
0.535
EDJ-MED-4138fde9-7
0.533
VLA-UNK-e334495f-1
0.529
VLA-UNK-61877630-7
0.529
VLA-MRT-8c78ee15-1
0.523
VLA-MRT-a639d434-3
0.523
VLA-MRT-8c78ee15-2
0.523
PET-UNK-94036022-2
0.521
ALP-POS-c56c1477-4
0.521
MAT-POS-89bd6af1-1
0.521
PET-UNK-6da3dcd8-10
0.521
EDJ-MED-b6c6ee2b-4
0.521
PET-UNK-94036022-9
0.521
MIC-UNK-c85ea37c-2
0.515
VLA-UNK-e334495f-2
0.512
VLA-UNK-61877630-8
0.512
PET-UNK-6da3dcd8-8
0.508
EDJ-MED-b1cef252-2
0.508
MAT-POS-83a7b0a0-2
0.508
MAT-POS-89bd6af1-2
0.508