Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(S(N)(=O)=O)cc34)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-378a25ea-10
0.888
MAT-POS-b4d6b7fc-9
0.802
MAT-POS-81ae2990-9
0.802
EDJ-MED-378a25ea-11
0.796
MAT-POS-78ab8081-6
0.781
PET-UNK-19e211a9-10
0.781
EDJ-MED-378a25ea-6
0.766
MAT-POS-2e8b2191-9
0.764
EDJ-MED-378a25ea-26
0.764
MAT-POS-e36d57d9-1
0.764
MAT-POS-97ec4bd1-2
0.764
PET-UNK-19e211a9-9
0.764
EDJ-MED-378a25ea-20
0.759
EDJ-MED-378a25ea-2
0.750
MAT-POS-78ab8081-4
0.750
EDJ-MED-378a25ea-22
0.750
EDJ-MED-378a25ea-24
0.750
MAT-POS-e194df51-1
0.748
MAT-POS-e194df51-2
0.748
MAT-POS-dc2604c4-1
0.748
EDJ-MED-378a25ea-8
0.743
EDJ-MED-378a25ea-5
0.739
EDJ-MED-378a25ea-34
0.739
EDJ-MED-378a25ea-28
0.736
EDJ-MED-7889e8da-6
0.736
EDJ-MED-378a25ea-9
0.736
EDJ-MED-be9e6f63-4
0.735
EDJ-MED-7889e8da-4
0.735
EDJ-MED-378a25ea-16
0.732
EDJ-MED-378a25ea-19
0.723
EDJ-MED-378a25ea-30
0.723
EDJ-MED-378a25ea-14
0.717
MAT-POS-78ab8081-2
0.711
MAT-POS-4223bc15-12
0.710
EDJ-MED-378a25ea-32
0.704
MAT-POS-5cd9ea36-5
0.697
PET-UNK-c6bcc80b-1
0.696
PET-UNK-c6bcc80b-8
0.696
EDJ-MED-7889e8da-2
0.694
EDJ-MED-be9e6f63-2
0.694
PET-UNK-19e211a9-8
0.694
PET-UNK-19e211a9-5
0.694
PET-UNK-19e211a9-6
0.694
PET-UNK-19e211a9-7
0.694
EDJ-MED-378a25ea-25
0.691
EDJ-MED-be9e6f63-3
0.691
MAT-POS-c7726e07-7
0.691
MAT-POS-c7726e07-8
0.691
EDJ-MED-378a25ea-18
0.685
EDJ-MED-378a25ea-21
0.685
EDJ-MED-378a25ea-4
0.681
MAT-POS-22373164-4
0.681
MAT-POS-bf364d7a-10
0.679
MAT-POS-5cd9ea36-6
0.679
MAT-POS-bf364d7a-9
0.679
MAT-POS-22373164-2
0.679
EDJ-MED-be9e6f63-1
0.676
MAT-POS-13080fc6-3
0.676
MAT-POS-5cd9ea36-7
0.673
MAT-POS-bf364d7a-11
0.673
MAT-POS-bf364d7a-12
0.673
JOH-SUS-07b743f6-3
0.670
EDJ-MED-378a25ea-1
0.670
ALP-POS-07e1ed01-2
0.667
MAT-POS-22373164-3
0.667
EDJ-MED-378a25ea-3
0.664
EDJ-MED-378a25ea-23
0.664
EDJ-MED-4f4dd660-2
0.664
EDJ-MED-378a25ea-7
0.664
MAT-POS-22373164-1
0.664
MAT-POS-81ae2990-8
0.664
ALP-POS-6f6ae286-4
0.661
PET-UNK-19e211a9-4
0.661
EDJ-MED-378a25ea-15
0.658
ALP-POS-07e1ed01-1
0.658
MAT-POS-777f5926-3
0.658
MAT-POS-777f5926-4
0.658
MAT-POS-dc2604c4-3
0.658
EDJ-MED-378a25ea-33
0.655
PET-UNK-19e211a9-1
0.655
PET-UNK-615ad708-1
0.655
MAT-POS-bfd29aac-1
0.655
PET-UNK-615ad708-4
0.655
PET-UNK-19e211a9-3
0.655
EDJ-MED-4f4dd660-4
0.652
PET-UNK-19e211a9-2
0.651
MAT-POS-bfd29aac-2
0.651
XIA-UNK-284f966f-1
0.651
PET-UNK-94036022-8
0.651
PET-UNK-94036022-1
0.651
FRA-DIA-6238d354-2
0.650
ALE-ALC-b4762a05-1
0.649
ALE-ALC-1b189c66-1
0.649
ALE-ALC-3d276b90-1
0.649
EDJ-MED-378a25ea-17
0.647
EDJ-MED-378a25ea-27
0.647
ALE-ALC-e1a61ec1-1
0.646
MAT-POS-81ae2990-3
0.645
EDJ-MED-4f4dd660-6
0.641
MAT-POS-81ae2990-7
0.640