Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(S(N)(=O)=O)ccc34)C2)CC1 |
MW: | 559.08 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 163.32 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-7889e8da-6
0.850
EDJ-MED-378a25ea-9
0.850
EDJ-MED-be9e6f63-4
0.816
EDJ-MED-7889e8da-4
0.816
EDJ-MED-378a25ea-12
0.796
EDJ-MED-7889e8da-2
0.769
EDJ-MED-be9e6f63-2
0.769
EDJ-MED-be9e6f63-3
0.764
EDJ-MED-378a25ea-25
0.764
MAT-POS-c7726e07-7
0.764
MAT-POS-c7726e07-8
0.764
EDJ-MED-378a25ea-18
0.757
MAT-POS-22373164-2
0.750
EDJ-MED-be9e6f63-1
0.748
EDJ-MED-378a25ea-1
0.741
EDJ-MED-378a25ea-21
0.741
MAT-POS-e194df51-1
0.740
MAT-POS-e194df51-2
0.740
MAT-POS-dc2604c4-1
0.740
EDJ-MED-378a25ea-4
0.736
MAT-POS-22373164-3
0.736
MAT-POS-22373164-4
0.736
EDJ-MED-378a25ea-23
0.734
EDJ-MED-4f4dd660-2
0.734
EDJ-MED-378a25ea-7
0.734
MAT-POS-22373164-1
0.734
EDJ-MED-378a25ea-3
0.732
ALP-POS-6f6ae286-4
0.731
EDJ-MED-378a25ea-15
0.726
EDJ-MED-378a25ea-33
0.723
EDJ-MED-4f4dd660-4
0.721
EDJ-MED-378a25ea-17
0.714
EDJ-MED-378a25ea-27
0.714
EDJ-MED-4f4dd660-6
0.708
EDJ-MED-378a25ea-10
0.706
MAT-POS-4223bc15-12
0.704
MAT-POS-5cd9ea36-6
0.703
MAT-POS-bf364d7a-9
0.703
MAT-POS-bf364d7a-10
0.703
EDJ-MED-378a25ea-13
0.702
EDJ-MED-378a25ea-29
0.702
EDJ-MED-378a25ea-31
0.702
MAT-POS-81ae2990-9
0.694
MAT-POS-b4d6b7fc-9
0.694
MAT-POS-5cd9ea36-5
0.691
PET-UNK-c6bcc80b-1
0.690
PET-UNK-c6bcc80b-8
0.690
PET-UNK-19e211a9-5
0.688
PET-UNK-19e211a9-6
0.688
JOH-SUS-07b743f6-3
0.679
PET-UNK-19e211a9-10
0.679
MAT-POS-78ab8081-6
0.679
MAT-POS-5c19d660-1
0.676
PET-UNK-19e211a9-8
0.673
MAT-POS-5cd9ea36-7
0.667
EDJ-MED-378a25ea-6
0.667
MAT-POS-bf364d7a-11
0.667
MAT-POS-bf364d7a-12
0.667
PET-UNK-19e211a9-9
0.664
EDJ-MED-378a25ea-26
0.664
MAT-POS-2e8b2191-9
0.664
MAT-POS-e36d57d9-1
0.664
MAT-POS-97ec4bd1-2
0.664
EDJ-MED-378a25ea-20
0.661
EDJ-MED-378a25ea-5
0.658
PET-UNK-19e211a9-7
0.658
EDJ-MED-ede277f6-12
0.655
PET-UNK-19e211a9-4
0.655
EDJ-MED-378a25ea-16
0.653
EDJ-MED-378a25ea-22
0.652
EDJ-MED-378a25ea-2
0.652
MAT-POS-78ab8081-4
0.652
EDJ-MED-378a25ea-24
0.652
MAT-POS-777f5926-3
0.652
MAT-POS-777f5926-4
0.652
MAT-POS-dc2604c4-3
0.652
ALP-POS-07e1ed01-1
0.652
PET-UNK-615ad708-4
0.649
PET-UNK-19e211a9-3
0.649
PET-UNK-615ad708-1
0.649
MAT-POS-78ab8081-2
0.647
EDJ-MED-378a25ea-8
0.647
ALP-POS-07e1ed01-2
0.646
XIA-UNK-284f966f-1
0.645
PET-UNK-94036022-8
0.645
MAT-POS-bfd29aac-2
0.645
PET-UNK-94036022-1
0.645
PET-UNK-19e211a9-2
0.645
EDJ-MED-378a25ea-34
0.644
ALE-ALC-3d276b90-1
0.643
ALE-ALC-b4762a05-1
0.643
ALE-ALC-1b189c66-1
0.643
EDJ-MED-378a25ea-28
0.641
MAT-POS-13080fc6-3
0.640
MAT-POS-b4d6b7fc-8
0.634
MAT-POS-81ae2990-7
0.634
PET-UNK-19e211a9-1
0.634
MAT-POS-bfd29aac-1
0.634
PET-UNK-ff046148-2
0.631
JOH-SUS-07b743f6-6
0.631