Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(NC(=O)C5CC5)cc34)C2)CC1 |
MW: | 563.14 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 132.26 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-18
0.838
MAT-POS-2e8b2191-9
0.787
EDJ-MED-378a25ea-26
0.787
MAT-POS-e36d57d9-1
0.787
EDJ-MED-378a25ea-12
0.759
MAT-POS-b4d6b7fc-9
0.757
MAT-POS-81ae2990-9
0.757
MAT-POS-97ec4bd1-2
0.739
EDJ-MED-378a25ea-10
0.736
EDJ-MED-378a25ea-24
0.726
PET-UNK-19e211a9-9
0.723
MAT-POS-78ab8081-6
0.723
PET-UNK-19e211a9-10
0.723
EDJ-MED-378a25ea-28
0.713
MAT-POS-78ab8081-4
0.711
EDJ-MED-378a25ea-2
0.711
EDJ-MED-378a25ea-6
0.711
EDJ-MED-378a25ea-22
0.711
MAT-POS-e194df51-1
0.706
MAT-POS-e194df51-2
0.706
MAT-POS-dc2604c4-1
0.706
EDJ-MED-378a25ea-8
0.704
EDJ-MED-378a25ea-19
0.701
EDJ-MED-378a25ea-34
0.701
EDJ-MED-be9e6f63-3
0.699
EDJ-MED-378a25ea-25
0.699
MAT-POS-c7726e07-7
0.699
MAT-POS-c7726e07-8
0.699
EDJ-MED-378a25ea-14
0.695
EDJ-MED-378a25ea-16
0.695
EDJ-MED-be9e6f63-4
0.694
EDJ-MED-7889e8da-4
0.694
EDJ-MED-378a25ea-5
0.686
EDJ-MED-378a25ea-30
0.686
MAT-POS-22373164-4
0.675
MAT-POS-78ab8081-2
0.675
MAT-POS-4223bc15-12
0.673
MAT-POS-22373164-2
0.672
EDJ-MED-378a25ea-32
0.669
MAT-POS-22373164-3
0.661
MAT-POS-5cd9ea36-5
0.661
EDJ-MED-378a25ea-11
0.661
PET-UNK-19e211a9-6
0.658
PET-UNK-19e211a9-7
0.658
PET-UNK-19e211a9-8
0.658
PET-UNK-19e211a9-5
0.658
EDJ-MED-7889e8da-2
0.658
EDJ-MED-be9e6f63-2
0.658
EDJ-MED-378a25ea-9
0.652
EDJ-MED-7889e8da-6
0.652
PET-UNK-c6bcc80b-8
0.647
PET-UNK-c6bcc80b-1
0.647
MAT-POS-5cd9ea36-6
0.644
EDJ-MED-378a25ea-23
0.644
EDJ-MED-4f4dd660-2
0.644
MAT-POS-bf364d7a-9
0.644
MAT-POS-bf364d7a-10
0.644
EDJ-MED-be9e6f63-1
0.641
MAT-POS-5cd9ea36-7
0.639
MAT-POS-bf364d7a-11
0.639
MAT-POS-bf364d7a-12
0.639
EDJ-MED-378a25ea-1
0.636
EDJ-MED-378a25ea-21
0.636
JOH-SUS-07b743f6-3
0.635
PET-UNK-615ad708-4
0.635
PET-UNK-19e211a9-3
0.635
PET-UNK-615ad708-1
0.635
EDJ-MED-4f4dd660-4
0.633
XIA-UNK-284f966f-1
0.632
PET-UNK-94036022-1
0.632
PET-UNK-94036022-8
0.632
EDJ-MED-378a25ea-7
0.630
MAT-POS-22373164-1
0.630
MAT-POS-81ae2990-8
0.629
EDJ-MED-378a25ea-17
0.628
ALP-POS-6f6ae286-4
0.627
PET-UNK-19e211a9-4
0.626
EDJ-MED-378a25ea-15
0.626
MAT-POS-777f5926-4
0.624
MAT-POS-dc2604c4-3
0.624
ALP-POS-07e1ed01-1
0.624
MAT-POS-777f5926-3
0.624
EDJ-MED-4f4dd660-6
0.623
EDJ-MED-378a25ea-33
0.623
MAT-POS-b4d6b7fc-8
0.621
MAT-POS-81ae2990-7
0.621
EDJ-MED-378a25ea-4
0.620
ALP-POS-07e1ed01-2
0.619
EDJ-MED-378a25ea-13
0.618
EDJ-MED-378a25ea-29
0.618
PET-UNK-19e211a9-2
0.617
MAT-POS-bfd29aac-2
0.617
ALE-ALC-b4762a05-1
0.615
ALE-ALC-1b189c66-1
0.615
ALE-ALC-3d276b90-1
0.615
EDJ-MED-378a25ea-27
0.615
ALE-ALC-e1a61ec1-1
0.613
MAT-POS-13080fc6-3
0.613
MAT-POS-81ae2990-3
0.612
PET-UNK-19e211a9-1
0.607