Molecular Properties | |
SMILES: | CC1(C)CN(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 534.15 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-02-05 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
ALP-POS-01611061-1
1.000
MAT-POS-50a80394-8
1.000
ALP-POS-01611061-2
0.782
LUO-POS-f7b1afe6-1
0.782
EDJ-MED-7e491f08-1
0.767
ALP-POS-01611061-3
0.760
ALP-POS-ecbed2ba-4
0.655
EDJ-MED-8bb691af-6
0.655
MIK-ENA-5d9157e9-1
0.655
MIK-ENA-5d9157e9-2
0.655
EDJ-MED-a12e3a20-1
0.655
MAT-POS-50a80394-1
0.646
MAT-POS-50a80394-2
0.646
MIK-ENA-99706bb8-1
0.646
MIK-ENA-17e27e9c-1
0.646
MIK-ENA-623fe2a6-1
0.646
MIK-ENA-2c0ad173-1
0.646
MIK-ENA-be04d1d4-1
0.646
MIK-ENA-e143773d-1
0.646
MIK-ENA-edcfce18-1
0.646
MIK-ENA-0547b12c-1
0.646
MAT-POS-b3212acf-2
0.640
MIC-UNK-257d841f-1
0.640
ALP-POS-133e7cd9-2
0.637
MAT-POS-b3212acf-1
0.635
MAT-POS-50a80394-3
0.635
EDJ-MED-8bb691af-5
0.628
MIC-UNK-7b6fe9e8-2
0.617
MAT-POS-c2d406ed-2
0.617
ALP-POS-ecbed2ba-8
0.614
LUO-POS-e1dab717-16
0.612
MIC-UNK-257d841f-2
0.610
EDG-MED-b6bce001-1
0.609
EDG-MED-00af8776-1
0.609
EDG-MED-0c930815-1
0.609
LUO-POS-5857a86a-1
0.607
ALP-POS-ecbed2ba-15
0.603
LUO-POS-eaf50f21-1
0.603
LUO-POS-f7b1afe6-4
0.600
LUO-POS-5857a86a-2
0.600
MAT-POS-50a80394-7
0.600
MIC-UNK-c85ea37c-3
0.598
EDG-MED-b6bce001-2
0.598
MAT-POS-c2d406ed-4
0.598
EDJ-MED-4138fde9-7
0.598
LUO-POS-eaf50f21-4
0.597
EDJ-MED-8bb691af-2
0.593
MAT-POS-1bed62cf-1
0.591
LUO-POS-868e8996-9
0.591
LUO-POS-868e8996-10
0.591
MIC-UNK-eb20c3e1-3
0.590
MIK-ENA-f156d06e-1
0.586
PET-UNK-94036022-6
0.586
MAT-POS-c2d406ed-1
0.586
PET-UNK-94036022-13
0.586
ALP-POS-ecbed2ba-11
0.583
LUO-POS-eaf50f21-2
0.583
LUO-POS-b5068a05-1
0.582
MIC-UNK-c85ea37c-1
0.581
EDJ-MED-cbbe2dbb-1
0.580
PET-UNK-143b31ee-3
0.580
MIC-UNK-7b6fe9e8-1
0.580
PET-UNK-143b31ee-6
0.580
LUO-POS-b5068a05-2
0.579
ALP-POS-ecbed2ba-2
0.579
LUO-POS-e1dab717-15
0.576
MIC-UNK-7b6fe9e8-3
0.575
MAT-POS-c2d406ed-3
0.571
PET-UNK-143b31ee-2
0.571
PET-UNK-143b31ee-4
0.571
PET-UNK-143b31ee-5
0.571
PET-UNK-143b31ee-1
0.571
LUO-POS-eaf50f21-5
0.569
LUO-POS-eaf50f21-3
0.565
VLA-UNK-61877630-8
0.563
VLA-UNK-e334495f-2
0.563
MIC-UNK-c85ea37c-2
0.562
PET-UNK-94036022-2
0.560
PET-UNK-94036022-9
0.560
ALP-POS-ecbed2ba-3
0.543
VLA-UNK-61877630-7
0.542
VLA-UNK-e334495f-1
0.542
ALP-POS-ecbed2ba-22
0.537
EDJ-MED-b6c6ee2b-4
0.534
VLA-UNK-e334495f-3
0.533
VLA-UNK-61877630-9
0.533
EDJ-MED-accc2c4d-3
0.530
ALP-POS-c3a90b22-7
0.529
VLA-UNK-e334495f-4
0.529
MAT-POS-853c0ffa-13
0.525
EDJ-MED-accc2c4d-1
0.521
MAT-POS-89bd6af1-1
0.521
ALP-POS-c56c1477-4
0.521
ALP-POS-ecbed2ba-13
0.521
ALP-POS-ecbed2ba-1
0.521
PET-UNK-94036022-10
0.517
PET-UNK-94036022-3
0.517
EDJ-MED-ee81482e-2
0.515
EDJ-MED-9f4ac58c-2
0.512
ALP-POS-ecbed2ba-6
0.512