Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4c(C(=O)O)cccc34)C2)CC1 |
MW: | 524.09 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 140.46 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALE-ALC-1b189c66-1
ALE-ALC-159be365-1
ALE-ALC-1b189c66-1
1.000
ALE-ALC-159be365-1
0.833
ALE-ALC-3d276b90-1
0.784
ALE-ALC-e1a61ec1-1
0.762
ALE-ALC-6d799671-1
0.734
ALE-ALC-40a91b97-1
0.734
MAT-POS-dc2604c4-1
0.705
MAT-POS-e194df51-1
0.705
MAT-POS-e194df51-2
0.705
EDJ-MED-7889e8da-4
0.692
EDJ-MED-be9e6f63-4
0.692
MAT-POS-4223bc15-12
0.670
PET-UNK-19e211a9-4
0.667
PET-UNK-615ad708-4
0.661
PET-UNK-615ad708-1
0.661
MAT-POS-b4d6b7fc-9
0.661
MAT-POS-81ae2990-9
0.661
PET-UNK-19e211a9-3
0.661
MAT-POS-5cd9ea36-5
0.658
JOH-UNI-2440d4f3-4
0.657
JOH-UNI-3267ef54-2
0.657
JOH-UNI-7e3f498e-3
0.657
EDJ-MED-be9e6f63-2
0.655
EDJ-MED-7889e8da-2
0.655
EDJ-MED-7889e8da-6
0.649
EDJ-MED-378a25ea-9
0.649
EDJ-MED-378a25ea-12
0.649
MAT-POS-e36d57d9-1
0.646
EDJ-MED-378a25ea-26
0.646
MAT-POS-2e8b2191-9
0.646
JOH-UNI-2440d4f3-2
0.645
EDJ-MED-378a25ea-4
0.643
EDJ-MED-378a25ea-11
0.643
EDJ-MED-378a25ea-10
0.643
PET-UNK-19e211a9-5
0.640
PET-UNK-19e211a9-8
0.640
MAT-POS-bf364d7a-9
0.640
MAT-POS-bf364d7a-10
0.640
MAT-POS-5cd9ea36-6
0.640
MAT-POS-c7726e07-7
0.637
EDJ-MED-be9e6f63-1
0.637
EDJ-MED-be9e6f63-3
0.637
EDJ-MED-378a25ea-25
0.637
MAT-POS-c7726e07-8
0.637
EDJ-MED-378a25ea-6
0.635
MAT-POS-bf364d7a-11
0.635
MAT-POS-bf364d7a-12
0.635
MAT-POS-5cd9ea36-7
0.635
MAT-POS-78ab8081-4
0.635
EDJ-MED-378a25ea-2
0.635
EDJ-MED-378a25ea-24
0.635
EDJ-MED-378a25ea-33
0.632
PET-UNK-19e211a9-9
0.632
PET-UNK-19e211a9-10
0.632
EDJ-MED-378a25ea-1
0.632
MAT-POS-78ab8081-6
0.632
MAT-POS-97ec4bd1-2
0.632
EDJ-MED-378a25ea-18
0.632
EDJ-MED-378a25ea-21
0.632
MAT-POS-b4d6b7fc-8
0.631
MAT-POS-81ae2990-7
0.631
JOH-SUS-07b743f6-3
0.631
PET-UNK-c6bcc80b-1
0.629
PET-UNK-c6bcc80b-8
0.629
EDJ-MED-378a25ea-3
0.627
PET-UNK-19e211a9-6
0.626
PET-UNK-19e211a9-7
0.626
MAT-POS-22373164-1
0.626
MAT-POS-22373164-2
0.626
EDJ-MED-4f4dd660-2
0.626
EDJ-MED-378a25ea-23
0.626
EDJ-MED-378a25ea-7
0.626
EDJ-MED-378a25ea-27
0.624
ALP-POS-6f6ae286-4
0.623
EDJ-MED-378a25ea-22
0.621
ALP-POS-07e1ed01-1
0.619
MAT-POS-777f5926-3
0.619
MAT-POS-777f5926-4
0.619
MAT-POS-dc2604c4-3
0.619
EDJ-MED-378a25ea-20
0.615
MAT-POS-22373164-4
0.615
MAT-POS-22373164-3
0.615
EDJ-MED-4f4dd660-4
0.615
EDJ-MED-378a25ea-8
0.615
ALP-POS-07e1ed01-2
0.614
EDJ-MED-378a25ea-5
0.613
EDJ-MED-378a25ea-34
0.613
PET-UNK-94036022-8
0.613
PET-UNK-19e211a9-2
0.613
MAT-POS-bfd29aac-2
0.613
PET-UNK-94036022-1
0.613
XIA-UNK-284f966f-1
0.613
MAT-POS-81ae2990-8
0.611
EDJ-MED-378a25ea-28
0.610
EDJ-MED-378a25ea-17
0.610
EDJ-MED-378a25ea-16
0.608
EDJ-MED-378a25ea-15
0.608
EDJ-MED-4f4dd660-6
0.605
PET-UNK-19e211a9-1
0.602
MAT-POS-bfd29aac-1
0.602