Molecular Properties | |
SMILES: | Cn1ncc2cncc(NC(=O)[C@@H]3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c21 |
MW: | 484.11 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 120.98 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-bfd29aac-1
1.000
PET-UNK-e274cad4-3
0.740
EDJ-MED-be9e6f63-4
0.683
EDJ-MED-7889e8da-4
0.683
EDJ-MED-378a25ea-9
0.670
EDJ-MED-7889e8da-6
0.670
MAT-POS-b4d6b7fc-8
0.667
MAT-POS-81ae2990-7
0.667
MAT-POS-97ec4bd1-2
0.667
EDJ-MED-378a25ea-10
0.664
PET-UNK-19e211a9-2
0.664
MAT-POS-bfd29aac-2
0.664
MAT-POS-e194df51-1
0.664
MAT-POS-e194df51-2
0.664
MAT-POS-dc2604c4-1
0.664
EDJ-MED-7889e8da-2
0.661
EDJ-MED-be9e6f63-2
0.661
MAT-POS-13080fc6-3
0.658
EDJ-MED-378a25ea-12
0.655
EDJ-MED-378a25ea-1
0.652
MAT-POS-b4d6b7fc-9
0.651
MAT-POS-81ae2990-9
0.651
EDJ-MED-378a25ea-13
0.647
MAT-POS-22373164-1
0.646
PET-UNK-19e211a9-5
0.646
PET-UNK-19e211a9-6
0.646
PET-UNK-19e211a9-7
0.646
MAT-POS-81ae2990-8
0.645
MAT-POS-c7726e07-7
0.643
EDJ-MED-be9e6f63-1
0.643
EDJ-MED-378a25ea-25
0.643
EDJ-MED-be9e6f63-3
0.643
MAT-POS-13080fc6-1
0.643
MAT-POS-c7726e07-8
0.643
EDJ-MED-378a25ea-24
0.640
MAT-POS-78ab8081-6
0.637
PET-UNK-19e211a9-9
0.637
PET-UNK-19e211a9-10
0.637
MAT-POS-e36d57d9-1
0.637
MAT-POS-2e8b2191-9
0.637
EDJ-MED-378a25ea-26
0.637
EDJ-MED-378a25ea-21
0.637
EDJ-MED-378a25ea-11
0.634
ALP-POS-07e1ed01-2
0.634
MAT-POS-22373164-2
0.632
PET-UNK-19e211a9-8
0.632
EDJ-MED-4f4dd660-2
0.632
EDJ-MED-378a25ea-23
0.632
EDJ-MED-378a25ea-7
0.632
MAT-POS-4223bc15-12
0.631
ALP-POS-6f6ae286-4
0.628
PET-UNK-19e211a9-4
0.627
EDJ-MED-378a25ea-14
0.627
EDJ-MED-378a25ea-2
0.626
MAT-POS-78ab8081-4
0.626
EDJ-MED-378a25ea-22
0.626
EDJ-MED-378a25ea-18
0.623
EDJ-MED-4f4dd660-4
0.621
EDJ-MED-378a25ea-8
0.621
PET-UNK-c6bcc80b-1
0.621
MAT-POS-22373164-3
0.621
PET-UNK-c6bcc80b-8
0.621
MAT-POS-5cd9ea36-5
0.619
EDJ-MED-378a25ea-34
0.619
MAT-POS-5cd9ea36-6
0.617
MAT-POS-bf364d7a-9
0.617
MAT-POS-bf364d7a-10
0.617
EDJ-MED-378a25ea-17
0.615
EDJ-MED-378a25ea-28
0.615
EDJ-MED-378a25ea-27
0.615
EDJ-MED-378a25ea-6
0.612
EDJ-MED-4f4dd660-6
0.610
EDJ-MED-378a25ea-33
0.610
PET-UNK-19e211a9-3
0.607
JOH-UNI-2440d4f3-2
0.607
PET-UNK-615ad708-4
0.607
PET-UNK-615ad708-1
0.607
EDJ-MED-378a25ea-4
0.607
MAT-POS-22373164-4
0.607
EDJ-MED-378a25ea-20
0.607
EDJ-MED-378a25ea-3
0.605
EDJ-MED-378a25ea-29
0.605
EDJ-MED-378a25ea-30
0.605
EDJ-MED-378a25ea-31
0.605
EDJ-MED-378a25ea-19
0.605
EDJ-MED-378a25ea-5
0.605
ALE-ALC-3d276b90-1
0.602
ALE-ALC-b4762a05-1
0.602
ALE-ALC-1b189c66-1
0.602
EDJ-MED-378a25ea-15
0.600
EDJ-MED-378a25ea-16
0.600
MAT-POS-5cd9ea36-7
0.598
MAT-POS-bf364d7a-12
0.598
MAT-POS-bf364d7a-11
0.598
EDJ-MED-343bb62d-4
0.598
MAT-POS-78ab8081-2
0.595
JOH-SUS-07b743f6-3
0.593
EDJ-MED-378a25ea-32
0.590
ALE-ALC-159be365-1
0.590
JOH-UNI-2440d4f3-4
0.589