Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
MW: | 558.08 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 137.3 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-12
0.888
MAT-POS-81ae2990-9
0.794
MAT-POS-b4d6b7fc-9
0.794
MAT-POS-e36d57d9-1
0.790
EDJ-MED-378a25ea-26
0.790
MAT-POS-2e8b2191-9
0.790
EDJ-MED-378a25ea-9
0.779
EDJ-MED-7889e8da-6
0.779
EDJ-MED-378a25ea-2
0.776
EDJ-MED-378a25ea-22
0.776
MAT-POS-78ab8081-4
0.776
EDJ-MED-378a25ea-24
0.776
MAT-POS-97ec4bd1-2
0.774
MAT-POS-78ab8081-6
0.774
PET-UNK-19e211a9-9
0.774
PET-UNK-19e211a9-10
0.774
EDJ-MED-378a25ea-34
0.764
EDJ-MED-378a25ea-6
0.759
EDJ-MED-378a25ea-8
0.752
EDJ-MED-378a25ea-28
0.745
FRA-DIA-6238d354-2
0.745
EDJ-MED-378a25ea-16
0.741
MAT-POS-e194df51-1
0.740
MAT-POS-e194df51-2
0.740
MAT-POS-dc2604c4-1
0.740
EDJ-MED-378a25ea-20
0.736
EDJ-MED-7889e8da-4
0.728
EDJ-MED-be9e6f63-4
0.728
EDJ-MED-378a25ea-14
0.726
PET-UNK-c6bcc80b-1
0.721
PET-UNK-c6bcc80b-8
0.721
MAT-POS-78ab8081-2
0.719
EDJ-MED-378a25ea-5
0.717
EDJ-MED-378a25ea-19
0.717
EDJ-MED-378a25ea-30
0.717
MAT-POS-c7726e07-7
0.716
MAT-POS-c7726e07-8
0.716
EDJ-MED-378a25ea-25
0.716
EDJ-MED-be9e6f63-3
0.716
EDJ-MED-378a25ea-21
0.709
EDJ-MED-378a25ea-11
0.706
MAT-POS-4223bc15-12
0.704
PET-UNK-19e211a9-7
0.703
PET-UNK-19e211a9-8
0.703
PET-UNK-19e211a9-5
0.703
PET-UNK-19e211a9-6
0.703
MAT-POS-13080fc6-3
0.700
EDJ-MED-378a25ea-32
0.698
EDJ-MED-378a25ea-1
0.694
MAT-POS-5cd9ea36-5
0.691
EDJ-MED-be9e6f63-2
0.688
EDJ-MED-7889e8da-2
0.688
EDJ-MED-4f4dd660-2
0.688
EDJ-MED-378a25ea-23
0.688
MAT-POS-22373164-2
0.688
MAT-POS-22373164-1
0.688
PET-UNK-19e211a9-4
0.685
EDJ-MED-be9e6f63-1
0.685
EDJ-MED-378a25ea-18
0.679
EDJ-MED-378a25ea-33
0.678
ALP-POS-07e1ed01-2
0.676
MAT-POS-22373164-3
0.675
EDJ-MED-4f4dd660-4
0.675
MAT-POS-22373164-4
0.675
EDJ-MED-378a25ea-7
0.673
MAT-POS-5cd9ea36-6
0.673
MAT-POS-bf364d7a-9
0.673
MAT-POS-bf364d7a-10
0.673
MAT-POS-81ae2990-3
0.670
MAT-POS-5cd9ea36-7
0.667
MAT-POS-bf364d7a-11
0.667
MAT-POS-bf364d7a-12
0.667
EDJ-MED-378a25ea-15
0.667
MAT-POS-bfd29aac-1
0.664
JOH-SUS-07b743f6-3
0.664
PET-UNK-19e211a9-1
0.664
EDJ-MED-378a25ea-4
0.661
EDJ-MED-378a25ea-13
0.658
MAT-POS-81ae2990-8
0.658
EDJ-MED-378a25ea-27
0.655
MAT-POS-13080fc6-1
0.655
ALP-POS-6f6ae286-4
0.655
ALP-POS-07e1ed01-1
0.652
MAT-POS-dc2604c4-3
0.652
MAT-POS-777f5926-3
0.652
MAT-POS-777f5926-4
0.652
EDJ-MED-4f4dd660-6
0.650
PET-UNK-615ad708-1
0.649
PET-UNK-615ad708-4
0.649
PET-UNK-19e211a9-3
0.649
PET-UNK-94036022-1
0.645
XIA-UNK-284f966f-1
0.645
MAT-POS-bfd29aac-2
0.645
PET-UNK-94036022-8
0.645
PET-UNK-19e211a9-2
0.645
ALE-ALC-b4762a05-1
0.643
ALE-ALC-1b189c66-1
0.643
ALE-ALC-3d276b90-1
0.643
EDJ-MED-378a25ea-17
0.641
ALE-ALC-e1a61ec1-1
0.640