Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CCC1 |
| MW: | 499.13 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 88.6 |
| cLogP: | 4.33 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-4223bc15-12
MAT-POS-bf364d7a-8
0.936
EDJ-MED-76744c27-4
0.936
ALF-EVA-07677224-7
0.936
MAT-POS-bf364d7a-7
0.936
MAT-POS-4223bc15-12
0.794
MAT-POS-dd1fff26-1
0.790
MAT-POS-dd1fff26-2
0.790
MAT-POS-5cd9ea36-10
0.790
PET-UNK-615ad708-5
0.788
PET-UNK-ff046148-1
0.788
PET-UNK-615ad708-2
0.788
MAT-POS-dc2604c4-1
0.782
MAT-POS-e194df51-1
0.782
MAT-POS-e194df51-2
0.782
XIA-UNK-284f966f-1
0.782
PET-UNK-94036022-1
0.782
PET-UNK-94036022-8
0.782
PET-UNK-af70882d-4
0.778
MAT-POS-5cd9ea36-9
0.772
MAT-POS-4223bc15-6
0.771
MAT-POS-5cd9ea36-5
0.762
XIA-UNK-c8ef6831-1
0.757
ALP-POS-395d3f9b-1
0.757
ALF-EVA-07677224-9
0.750
JOH-SUS-07b743f6-3
0.750
JOH-SUS-07b743f6-6
0.748
ALP-POS-07e1ed01-2
0.745
EDJ-MED-4fff0a85-3
0.743
MAT-POS-bf364d7a-1
0.743
MAT-POS-bf364d7a-2
0.743
EDJ-MED-7f6e5b75-1
0.743
MAT-POS-4223bc15-4
0.738
BRU-THA-d60fe444-1
0.737
ALP-POS-07e1ed01-1
0.736
MAT-POS-777f5926-4
0.736
MAT-POS-dc2604c4-3
0.736
MAT-POS-5cd9ea36-8
0.736
MAT-POS-81ae2990-6
0.736
MAT-POS-777f5926-3
0.736
JOH-SUS-07b743f6-1
0.726
PET-UNK-af70882d-3
0.725
EDJ-MED-76744c27-5
0.725
MAT-POS-bf364d7a-9
0.725
MAT-POS-5cd9ea36-6
0.725
MAT-POS-bf364d7a-10
0.725
EDJ-MED-76744c27-7
0.724
EDJ-MED-76744c27-2
0.724
MAT-POS-4223bc15-5
0.723
ALF-EVA-0e90125c-4
0.721
JOH-SUS-07b743f6-2
0.720
PET-UNK-af70882d-2
0.718
MAT-POS-bf364d7a-11
0.718
MAT-POS-5cd9ea36-7
0.718
MAT-POS-bf364d7a-12
0.718
EDJ-MED-76744c27-3
0.716
MAT-POS-5cd9ea36-24
0.716
PET-UNK-de87a406-1
0.712
MAT-POS-5cd9ea36-12
0.708
ANN-CHE-e1757302-2
0.705
EDJ-MED-4fff0a85-2
0.705
MAT-POS-5cd9ea36-11
0.705
MAT-POS-24589f88-2
0.704
MAT-POS-24589f88-3
0.704
MAT-POS-dd3ad2b5-4
0.704
MAT-POS-5cd9ea36-1
0.698
PET-UNK-af70882d-1
0.698
ANN-CHE-e1757302-5
0.698
MAT-POS-bf364d7a-6
0.698
MAT-POS-bf364d7a-5
0.698
EDJ-MED-76744c27-1
0.698
EDJ-MED-76744c27-6
0.695
MAT-POS-dc2604c4-4
0.695
MAT-POS-97ec4bd1-1
0.694
ANN-CHE-e1757302-4
0.692
ANN-CHE-e1757302-1
0.689
MAT-POS-4223bc15-14
0.689
MAT-POS-4223bc15-1
0.683
ANN-CHE-e1757302-3
0.682
EDJ-MED-4fff0a85-4
0.682
MAT-POS-bf364d7a-3
0.682
MAT-POS-bf364d7a-4
0.682
ALF-EVA-0e90125c-7
0.682
MAT-POS-4223bc15-2
0.676
PET-UNK-d61f3ea6-2
0.676
MAT-POS-5cd9ea36-17
0.673
MAT-POS-5cd9ea36-22
0.673
ALF-EVA-0e90125c-6
0.673
MAT-POS-4223bc15-13
0.670
MAT-POS-5cd9ea36-16
0.670
MAT-POS-4223bc15-3
0.667
MAT-POS-4223bc15-29
0.667
MAT-POS-5cd9ea36-4
0.667
MAT-POS-51135489-1
0.664
EDJ-MED-e18764cb-3
0.664
MAT-POS-af1eef35-2
0.664
EDJ-MED-1981ceba-3
0.664
EDJ-MED-1981ceba-2
0.663
BEN-DND-32596b04-7
0.663
MAT-POS-61f37a1a-2
0.660
MAT-POS-4223bc15-9
0.660