Molecular Properties | |
SMILES: | CS(C)(=O)=Nc1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
MW: | 571.11 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 132.59 |
cLogP: | 4.42 |
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-21
0.811
EDJ-MED-378a25ea-10
0.776
MAT-POS-b4d6b7fc-9
0.764
MAT-POS-81ae2990-9
0.764
PET-UNK-19e211a9-9
0.761
MAT-POS-2e8b2191-9
0.761
EDJ-MED-378a25ea-26
0.761
MAT-POS-e36d57d9-1
0.761
EDJ-MED-378a25ea-34
0.752
EDJ-MED-378a25ea-12
0.750
EDJ-MED-378a25ea-2
0.748
EDJ-MED-378a25ea-24
0.748
MAT-POS-78ab8081-4
0.748
MAT-POS-97ec4bd1-2
0.745
MAT-POS-78ab8081-6
0.745
PET-UNK-19e211a9-10
0.745
EDJ-MED-378a25ea-6
0.732
EDJ-MED-378a25ea-8
0.726
EDJ-MED-378a25ea-28
0.719
EDJ-MED-378a25ea-14
0.716
MAT-POS-e194df51-1
0.713
MAT-POS-e194df51-2
0.713
MAT-POS-dc2604c4-1
0.713
EDJ-MED-378a25ea-20
0.711
EDJ-MED-378a25ea-9
0.703
EDJ-MED-7889e8da-6
0.703
EDJ-MED-be9e6f63-4
0.701
EDJ-MED-7889e8da-4
0.701
EDJ-MED-378a25ea-16
0.701
MAT-POS-78ab8081-2
0.695
PET-UNK-19e211a9-7
0.693
PET-UNK-19e211a9-8
0.693
EDJ-MED-378a25ea-19
0.692
EDJ-MED-378a25ea-5
0.692
EDJ-MED-378a25ea-30
0.692
MAT-POS-c7726e07-7
0.690
EDJ-MED-378a25ea-25
0.690
MAT-POS-c7726e07-8
0.690
EDJ-MED-be9e6f63-3
0.690
EDJ-MED-378a25ea-33
0.684
PET-UNK-c6bcc80b-8
0.681
PET-UNK-c6bcc80b-1
0.681
MAT-POS-4223bc15-12
0.679
PET-UNK-19e211a9-5
0.678
PET-UNK-19e211a9-6
0.678
EDJ-MED-378a25ea-32
0.675
EDJ-MED-378a25ea-1
0.670
MAT-POS-5cd9ea36-5
0.667
EDJ-MED-378a25ea-23
0.664
MAT-POS-22373164-1
0.664
MAT-POS-22373164-2
0.664
EDJ-MED-4f4dd660-2
0.664
EDJ-MED-7889e8da-2
0.664
EDJ-MED-be9e6f63-2
0.664
EDJ-MED-be9e6f63-1
0.661
EDJ-MED-378a25ea-18
0.655
MAT-POS-22373164-3
0.653
EDJ-MED-4f4dd660-4
0.653
EDJ-MED-378a25ea-11
0.652
MAT-POS-bf364d7a-9
0.650
MAT-POS-5cd9ea36-6
0.650
EDJ-MED-378a25ea-7
0.650
MAT-POS-bf364d7a-10
0.650
MAT-POS-13080fc6-3
0.647
MAT-POS-81ae2990-3
0.646
MAT-POS-bf364d7a-12
0.644
MAT-POS-5cd9ea36-7
0.644
MAT-POS-bf364d7a-11
0.644
EDJ-MED-4f4dd660-6
0.642
JOH-SUS-07b743f6-3
0.640
MAT-POS-22373164-4
0.639
ALP-POS-07e1ed01-2
0.638
PET-UNK-94036022-1
0.637
PET-UNK-94036022-8
0.637
XIA-UNK-284f966f-1
0.637
EDJ-MED-378a25ea-13
0.636
MAT-POS-81ae2990-8
0.635
EDJ-MED-378a25ea-27
0.633
ALP-POS-6f6ae286-4
0.632
MAT-POS-13080fc6-1
0.632
PET-UNK-19e211a9-4
0.632
EDJ-MED-378a25ea-15
0.631
MAT-POS-777f5926-3
0.629
MAT-POS-777f5926-4
0.629
ALP-POS-07e1ed01-1
0.629
MAT-POS-dc2604c4-3
0.629
PET-UNK-615ad708-4
0.626
PET-UNK-19e211a9-3
0.626
PET-UNK-615ad708-1
0.626
MAT-POS-bfd29aac-1
0.626
PET-UNK-19e211a9-1
0.626
EDJ-MED-378a25ea-4
0.625
PET-UNK-19e211a9-2
0.623
MAT-POS-bfd29aac-2
0.623
ALE-ALC-3d276b90-1
0.621
ALE-ALC-b4762a05-1
0.621
ALE-ALC-1b189c66-1
0.621
EDJ-MED-378a25ea-17
0.620
ALE-ALC-e1a61ec1-1
0.619
MAT-POS-81ae2990-6
0.615