Molecular Properties | |
SMILES: | CS(C)(=O)=NCc1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 585.13 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 132.59 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
Hetero_hetero
S=N_(not_ring)
MAT-POS-e194df51-1
EDJ-MED-378a25ea-23
0.798
EDJ-MED-4f4dd660-2
0.798
EDJ-MED-378a25ea-34
0.795
EDJ-MED-4f4dd660-4
0.784
EDJ-MED-be9e6f63-4
0.762
EDJ-MED-7889e8da-4
0.762
EDJ-MED-378a25ea-9
0.761
EDJ-MED-7889e8da-6
0.761
EDJ-MED-378a25ea-21
0.757
EDJ-MED-4f4dd660-6
0.754
MAT-POS-c7726e07-7
0.732
EDJ-MED-378a25ea-25
0.732
MAT-POS-c7726e07-8
0.732
EDJ-MED-be9e6f63-3
0.732
EDJ-MED-378a25ea-11
0.723
EDJ-MED-7889e8da-2
0.721
EDJ-MED-be9e6f63-2
0.721
MAT-POS-22373164-1
0.719
EDJ-MED-be9e6f63-1
0.717
EDJ-MED-378a25ea-1
0.711
EDJ-MED-378a25ea-18
0.711
MAT-POS-22373164-2
0.704
EDJ-MED-378a25ea-7
0.704
MAT-POS-e194df51-1
0.694
MAT-POS-e194df51-2
0.694
MAT-POS-dc2604c4-1
0.694
MAT-POS-22373164-3
0.692
EDJ-MED-378a25ea-4
0.692
ALP-POS-6f6ae286-4
0.687
EDJ-MED-378a25ea-27
0.686
EDJ-MED-378a25ea-22
0.684
EDJ-MED-378a25ea-10
0.678
MAT-POS-22373164-4
0.678
EDJ-MED-378a25ea-13
0.675
EDJ-MED-378a25ea-3
0.675
EDJ-MED-378a25ea-17
0.672
EDJ-MED-378a25ea-24
0.669
EDJ-MED-378a25ea-15
0.669
PET-UNK-c6bcc80b-8
0.664
PET-UNK-c6bcc80b-1
0.664
EDJ-MED-378a25ea-29
0.661
EDJ-MED-378a25ea-31
0.661
PET-UNK-19e211a9-5
0.661
PET-UNK-19e211a9-6
0.661
MAT-POS-4223bc15-12
0.661
EDJ-MED-378a25ea-12
0.655
MAT-POS-2e8b2191-9
0.653
EDJ-MED-378a25ea-26
0.653
MAT-POS-e36d57d9-1
0.653
MAT-POS-b4d6b7fc-9
0.652
MAT-POS-81ae2990-9
0.652
MAT-POS-5cd9ea36-5
0.650
MAT-POS-bf364d7a-9
0.647
PET-UNK-19e211a9-8
0.647
MAT-POS-5cd9ea36-6
0.647
MAT-POS-bf364d7a-10
0.647
MAT-POS-97ec4bd1-2
0.639
MAT-POS-78ab8081-6
0.639
PET-UNK-19e211a9-10
0.639
PET-UNK-19e211a9-9
0.639
JOH-SUS-07b743f6-3
0.638
PET-UNK-19e211a9-7
0.633
ALE-ALC-b4762a05-1
0.632
ALE-ALC-1b189c66-1
0.632
MAT-POS-13080fc6-1
0.630
EDJ-MED-378a25ea-2
0.628
MAT-POS-bf364d7a-12
0.628
MAT-POS-5cd9ea36-7
0.628
MAT-POS-78ab8081-4
0.628
MAT-POS-bf364d7a-11
0.628
MAT-POS-b4d6b7fc-8
0.624
MAT-POS-81ae2990-7
0.624
EDJ-MED-378a25ea-20
0.623
EDJ-MED-378a25ea-8
0.623
ALP-POS-07e1ed01-2
0.622
PET-UNK-94036022-1
0.621
PET-UNK-94036022-8
0.621
XIA-UNK-284f966f-1
0.621
ALE-ALC-159be365-1
0.620
ALE-ALC-3d276b90-1
0.619
EDJ-MED-378a25ea-28
0.618
EDJ-MED-ede277f6-12
0.617
MAT-POS-13080fc6-3
0.617
PET-UNK-19e211a9-4
0.615
EDJ-MED-378a25ea-6
0.615
MAT-POS-777f5926-3
0.613
MAT-POS-777f5926-4
0.613
ALP-POS-07e1ed01-1
0.613
MAT-POS-dc2604c4-3
0.613
PET-UNK-615ad708-4
0.610
PET-UNK-19e211a9-3
0.610
PET-UNK-615ad708-1
0.610
MAT-POS-bfd29aac-1
0.610
PET-UNK-19e211a9-1
0.610
MAT-POS-5c19d660-1
0.608
PET-UNK-ff046148-2
0.607
PET-UNK-19e211a9-2
0.607
MAT-POS-bfd29aac-2
0.607
MAT-POS-81ae2990-8
0.605
ALE-ALC-e1a61ec1-1
0.603