Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)C(=O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
| MW: | 551.14 |
| Fraction sp3: | 0.33 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 123.47 |
| cLogP: | 3.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
Nc3cncc4ccccc34)C2)CC1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-e194df51-1
EDJ-MED-378a25ea-2
0.806
MAT-POS-78ab8081-4
0.806
PET-UNK-19e211a9-10
0.804
MAT-POS-78ab8081-6
0.804
EDJ-MED-378a25ea-7
0.796
EDJ-MED-378a25ea-19
0.761
MAT-POS-b4d6b7fc-9
0.757
MAT-POS-81ae2990-9
0.757
EDJ-MED-378a25ea-10
0.752
EDJ-MED-378a25ea-12
0.743
EDJ-MED-378a25ea-32
0.741
EDJ-MED-378a25ea-26
0.739
MAT-POS-e36d57d9-1
0.739
MAT-POS-2e8b2191-9
0.739
MAT-POS-97ec4bd1-2
0.739
PET-UNK-19e211a9-9
0.739
EDJ-MED-378a25ea-6
0.726
EDJ-MED-378a25ea-22
0.726
EDJ-MED-378a25ea-24
0.726
MAT-POS-78ab8081-2
0.718
EDJ-MED-378a25ea-28
0.713
EDJ-MED-378a25ea-14
0.709
MAT-POS-e194df51-1
0.706
MAT-POS-e194df51-2
0.706
MAT-POS-dc2604c4-1
0.706
EDJ-MED-378a25ea-20
0.704
PET-UNK-19e211a9-6
0.702
PET-UNK-19e211a9-8
0.702
EDJ-MED-378a25ea-34
0.701
EDJ-MED-378a25ea-16
0.695
EDJ-MED-be9e6f63-4
0.694
EDJ-MED-7889e8da-4
0.694
MAT-POS-22373164-1
0.687
PET-UNK-19e211a9-5
0.687
EDJ-MED-378a25ea-5
0.686
EDJ-MED-378a25ea-30
0.686
EDJ-MED-378a25ea-1
0.678
MAT-POS-4223bc15-12
0.673
EDJ-MED-be9e6f63-2
0.673
EDJ-MED-7889e8da-2
0.673
PET-UNK-19e211a9-7
0.672
MAT-POS-c7726e07-7
0.670
EDJ-MED-378a25ea-25
0.670
MAT-POS-c7726e07-8
0.670
EDJ-MED-be9e6f63-3
0.670
EDJ-MED-7889e8da-6
0.667
EDJ-MED-378a25ea-9
0.667
EDJ-MED-4f4dd660-6
0.664
PET-UNK-c6bcc80b-1
0.661
PET-UNK-c6bcc80b-8
0.661
MAT-POS-5cd9ea36-5
0.661
MAT-POS-22373164-2
0.658
EDJ-MED-be9e6f63-1
0.655
MAT-POS-13080fc6-3
0.655
EDJ-MED-378a25ea-18
0.650
EDJ-MED-378a25ea-21
0.650
MAT-POS-22373164-3
0.647
EDJ-MED-4f4dd660-4
0.647
MAT-POS-5c19d660-3
0.647
EDJ-MED-378a25ea-11
0.647
MAT-POS-5cd9ea36-6
0.644
EDJ-MED-378a25ea-23
0.644
EDJ-MED-4f4dd660-2
0.644
MAT-POS-bf364d7a-9
0.644
MAT-POS-bf364d7a-10
0.644
MAT-POS-81ae2990-8
0.643
EDJ-MED-378a25ea-17
0.642
ALP-POS-6f6ae286-4
0.641
MAT-POS-5cd9ea36-7
0.639
MAT-POS-bf364d7a-11
0.639
MAT-POS-bf364d7a-12
0.639
JOH-SUS-07b743f6-3
0.635
MAT-POS-78ab8081-3
0.633
EDJ-MED-378a25ea-4
0.633
MAT-POS-22373164-4
0.633
ALP-POS-07e1ed01-2
0.632
EDJ-MED-378a25ea-31
0.631
ALE-ALC-3d276b90-1
0.629
EDJ-MED-378a25ea-27
0.628
MAT-POS-13080fc6-1
0.627
MAT-POS-81ae2990-3
0.626
PET-UNK-19e211a9-4
0.626
EDJ-MED-378a25ea-15
0.626
MAT-POS-78ab8081-5
0.625
MAT-POS-777f5926-4
0.624
ALP-POS-07e1ed01-1
0.624
MAT-POS-81ae2990-6
0.624
MAT-POS-777f5926-3
0.624
MAT-POS-dc2604c4-3
0.624
EDJ-MED-378a25ea-33
0.623
MAT-POS-81ae2990-7
0.621
PET-UNK-19e211a9-1
0.621
PET-UNK-19e211a9-3
0.621
PET-UNK-615ad708-4
0.621
MAT-POS-b4d6b7fc-8
0.621
PET-UNK-615ad708-1
0.621
MAT-POS-bfd29aac-1
0.621
EDJ-MED-378a25ea-13
0.618
PET-UNK-19e211a9-2
0.617
MAT-POS-bfd29aac-2
0.617