Molecular Properties | |
SMILES: | CNC(=O)c1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 537.12 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 132.26 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
EDJ-MED-378a25ea-17
0.830
EDJ-MED-378a25ea-31
0.815
EDJ-MED-378a25ea-7
0.802
EDJ-MED-be9e6f63-4
0.800
EDJ-MED-7889e8da-4
0.800
MAT-POS-78ab8081-4
0.794
EDJ-MED-378a25ea-2
0.794
EDJ-MED-be9e6f63-1
0.766
EDJ-MED-378a25ea-9
0.764
EDJ-MED-7889e8da-6
0.764
EDJ-MED-7889e8da-2
0.755
EDJ-MED-be9e6f63-2
0.755
MAT-POS-22373164-1
0.752
EDJ-MED-be9e6f63-3
0.750
EDJ-MED-378a25ea-25
0.750
MAT-POS-c7726e07-7
0.750
MAT-POS-c7726e07-8
0.750
EDJ-MED-378a25ea-21
0.743
EDJ-MED-378a25ea-11
0.741
EDJ-MED-378a25ea-23
0.736
EDJ-MED-4f4dd660-2
0.736
MAT-POS-22373164-2
0.736
EDJ-MED-378a25ea-18
0.727
MAT-POS-e194df51-1
0.726
MAT-POS-e194df51-2
0.726
MAT-POS-dc2604c4-1
0.726
EDJ-MED-4f4dd660-4
0.723
MAT-POS-22373164-3
0.723
EDJ-MED-378a25ea-29
0.719
ALP-POS-6f6ae286-4
0.718
EDJ-MED-378a25ea-27
0.717
EDJ-MED-4f4dd660-6
0.711
EDJ-MED-378a25ea-33
0.711
EDJ-MED-378a25ea-4
0.708
MAT-POS-22373164-4
0.708
EDJ-MED-378a25ea-13
0.704
EDJ-MED-378a25ea-15
0.698
EDJ-MED-378a25ea-10
0.694
PET-UNK-c6bcc80b-8
0.693
PET-UNK-c6bcc80b-1
0.693
MAT-POS-4223bc15-12
0.691
PET-UNK-19e211a9-6
0.690
PET-UNK-19e211a9-5
0.690
EDJ-MED-378a25ea-3
0.690
MAT-POS-b4d6b7fc-9
0.682
MAT-POS-81ae2990-9
0.682
MAT-POS-97ec4bd1-2
0.681
MAT-POS-5cd9ea36-5
0.679
EDJ-MED-378a25ea-8
0.678
PET-UNK-19e211a9-8
0.675
MAT-POS-5cd9ea36-6
0.675
MAT-POS-bf364d7a-9
0.675
MAT-POS-bf364d7a-10
0.675
EDJ-MED-378a25ea-19
0.675
EDJ-MED-378a25ea-32
0.672
EDJ-MED-378a25ea-12
0.670
EDJ-MED-378a25ea-22
0.670
JOH-SUS-07b743f6-3
0.667
PET-UNK-19e211a9-9
0.667
MAT-POS-2e8b2191-9
0.667
EDJ-MED-378a25ea-26
0.667
MAT-POS-e36d57d9-1
0.667
MAT-POS-78ab8081-6
0.667
PET-UNK-19e211a9-10
0.667
PET-UNK-19e211a9-7
0.661
EDJ-MED-378a25ea-28
0.658
PET-UNK-19e211a9-4
0.658
MAT-POS-5cd9ea36-7
0.655
EDJ-MED-378a25ea-24
0.655
MAT-POS-bf364d7a-11
0.655
MAT-POS-bf364d7a-12
0.655
PET-UNK-19e211a9-1
0.652
MAT-POS-bfd29aac-1
0.652
MAT-POS-5c19d660-3
0.650
ALP-POS-07e1ed01-2
0.649
XIA-UNK-284f966f-1
0.649
PET-UNK-94036022-1
0.649
PET-UNK-94036022-8
0.649
ALE-ALC-3d276b90-1
0.646
EDJ-MED-378a25ea-6
0.641
MAT-POS-777f5926-4
0.640
MAT-POS-dc2604c4-3
0.640
ALP-POS-07e1ed01-1
0.640
MAT-POS-777f5926-3
0.640
PET-UNK-615ad708-4
0.637
PET-UNK-19e211a9-3
0.637
PET-UNK-615ad708-1
0.637
EDJ-MED-378a25ea-20
0.636
PET-UNK-19e211a9-2
0.634
MAT-POS-bfd29aac-2
0.634
EDJ-MED-378a25ea-30
0.633
EDJ-MED-378a25ea-34
0.633
ALE-ALC-b4762a05-1
0.632
ALE-ALC-1b189c66-1
0.632
EDJ-MED-378a25ea-14
0.628
EDJ-MED-378a25ea-16
0.628
MAT-POS-78ab8081-2
0.623
MAT-POS-b4d6b7fc-8
0.623
MAT-POS-81ae2990-7
0.623
MAT-POS-78ab8081-3
0.622