Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4sccc34)C2)CC1 |
MW: | 486.06 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
PET-UNK-615ad708-4
1.000
PET-UNK-615ad708-1
1.000
PET-UNK-7f7e354d-4
0.722
PET-UNK-7f7e354d-5
0.700
EDJ-MED-7889e8da-4
0.699
EDJ-MED-be9e6f63-4
0.699
MAT-POS-e194df51-2
0.679
MAT-POS-e194df51-1
0.679
MAT-POS-dc2604c4-1
0.679
EDJ-MED-be9e6f63-2
0.676
EDJ-MED-7889e8da-2
0.676
PET-UNK-19e211a9-4
0.673
MAT-POS-b4d6b7fc-9
0.667
EDJ-MED-378a25ea-18
0.667
MAT-POS-81ae2990-9
0.667
ALE-ALC-b4762a05-1
0.661
ALE-ALC-1b189c66-1
0.661
ALE-ALC-3d276b90-1
0.661
EDJ-MED-378a25ea-9
0.655
EDJ-MED-7889e8da-6
0.655
EDJ-MED-378a25ea-12
0.655
PET-UNK-19e211a9-9
0.652
EDJ-MED-378a25ea-10
0.649
EDJ-MED-378a25ea-11
0.649
PET-UNK-19e211a9-7
0.646
EDJ-MED-4f4dd660-2
0.646
PET-UNK-19e211a9-5
0.646
EDJ-MED-378a25ea-23
0.646
MAT-POS-4223bc15-12
0.645
ALP-POS-6f6ae286-4
0.643
EDJ-MED-be9e6f63-1
0.643
EDJ-MED-378a25ea-25
0.643
EDJ-MED-be9e6f63-3
0.643
MAT-POS-c7726e07-7
0.643
MAT-POS-c7726e07-8
0.643
ALE-ALC-e1a61ec1-1
0.643
EDJ-MED-378a25ea-24
0.640
MAT-POS-e36d57d9-1
0.637
EDJ-MED-378a25ea-1
0.637
MAT-POS-78ab8081-6
0.637
MAT-POS-2e8b2191-9
0.637
EDJ-MED-378a25ea-26
0.637
EDJ-MED-378a25ea-21
0.637
PET-UNK-19e211a9-10
0.637
MAT-POS-97ec4bd1-2
0.637
MAT-POS-22373164-3
0.635
EDJ-MED-378a25ea-20
0.635
EDJ-MED-4f4dd660-4
0.635
MAT-POS-5cd9ea36-5
0.634
ALE-ALC-159be365-1
0.632
PET-UNK-19e211a9-6
0.632
PET-UNK-19e211a9-8
0.632
EDJ-MED-378a25ea-7
0.632
MAT-POS-22373164-1
0.632
MAT-POS-22373164-2
0.632
MAT-POS-78ab8081-4
0.626
EDJ-MED-378a25ea-2
0.626
EDJ-MED-378a25ea-6
0.626
EDJ-MED-378a25ea-22
0.626
EDJ-MED-4f4dd660-6
0.624
PET-UNK-7f7e354d-6
0.621
MAT-POS-22373164-4
0.621
ALE-ALC-40a91b97-1
0.621
PET-UNK-c6bcc80b-1
0.621
EDJ-MED-378a25ea-4
0.621
EDJ-MED-378a25ea-8
0.621
ALE-ALC-6d799671-1
0.621
PET-UNK-c6bcc80b-8
0.621
PET-UNK-19e211a9-2
0.618
JOH-UNI-2440d4f3-4
0.618
MAT-POS-bfd29aac-2
0.618
JOH-UNI-3267ef54-2
0.618
JOH-UNI-7e3f498e-3
0.618
MAT-POS-5cd9ea36-6
0.617
MAT-POS-bf364d7a-9
0.617
MAT-POS-bf364d7a-10
0.617
MAT-POS-81ae2990-8
0.616
EDJ-MED-378a25ea-28
0.615
EDJ-MED-378a25ea-27
0.615
EDJ-MED-378a25ea-17
0.615
EDJ-MED-343bb62d-4
0.613
MAT-POS-5cd9ea36-7
0.612
MAT-POS-bf364d7a-11
0.612
MAT-POS-bf364d7a-12
0.612
EDJ-MED-378a25ea-33
0.610
MAT-POS-78ab8081-2
0.608
MAT-POS-81ae2990-7
0.607
JOH-UNI-2440d4f3-2
0.607
PET-UNK-19e211a9-1
0.607
MAT-POS-bfd29aac-1
0.607
JOH-SUS-07b743f6-3
0.607
MAT-POS-b4d6b7fc-8
0.607
EDJ-MED-378a25ea-19
0.605
EDJ-MED-378a25ea-34
0.605
EDJ-MED-378a25ea-3
0.605
EDJ-MED-378a25ea-5
0.605
EDJ-MED-378a25ea-13
0.605
EDJ-MED-378a25ea-29
0.605
EDJ-MED-378a25ea-30
0.605
EDJ-MED-378a25ea-31
0.605