Molecular Properties | |
SMILES: | CN(C)c1ccc2cncc(NC(=O)[C@@H]3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
MW: | 523.14 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 106.4 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-78ab8081-6
1.000
EDJ-MED-378a25ea-8
0.804
EDJ-MED-378a25ea-12
0.781
MAT-POS-b4d6b7fc-9
0.779
MAT-POS-81ae2990-9
0.779
MAT-POS-78ab8081-5
0.778
EDJ-MED-378a25ea-10
0.774
EDJ-MED-378a25ea-2
0.761
MAT-POS-78ab8081-4
0.761
PET-UNK-19e211a9-9
0.759
EDJ-MED-378a25ea-26
0.759
MAT-POS-e36d57d9-1
0.759
MAT-POS-97ec4bd1-2
0.759
MAT-POS-2e8b2191-9
0.759
MAT-POS-78ab8081-2
0.752
EDJ-MED-378a25ea-24
0.745
EDJ-MED-378a25ea-22
0.745
EDJ-MED-378a25ea-6
0.745
PET-UNK-19e211a9-6
0.736
PET-UNK-19e211a9-8
0.736
EDJ-MED-378a25ea-28
0.732
MAT-POS-e194df51-1
0.726
MAT-POS-e194df51-2
0.726
MAT-POS-dc2604c4-1
0.726
EDJ-MED-378a25ea-20
0.723
MAT-POS-22373164-1
0.721
EDJ-MED-378a25ea-34
0.719
EDJ-MED-378a25ea-19
0.719
EDJ-MED-be9e6f63-4
0.714
EDJ-MED-7889e8da-4
0.714
EDJ-MED-378a25ea-14
0.713
EDJ-MED-378a25ea-16
0.713
EDJ-MED-378a25ea-7
0.705
EDJ-MED-378a25ea-5
0.704
EDJ-MED-378a25ea-30
0.704
EDJ-MED-378a25ea-32
0.701
MAT-POS-4223bc15-12
0.691
PET-UNK-19e211a9-5
0.690
PET-UNK-19e211a9-7
0.690
EDJ-MED-be9e6f63-3
0.688
EDJ-MED-378a25ea-25
0.688
MAT-POS-c7726e07-7
0.688
MAT-POS-c7726e07-8
0.688
EDJ-MED-378a25ea-9
0.685
EDJ-MED-7889e8da-6
0.685
EDJ-MED-4f4dd660-6
0.681
MAT-POS-5cd9ea36-5
0.679
EDJ-MED-378a25ea-11
0.679
PET-UNK-c6bcc80b-1
0.678
PET-UNK-c6bcc80b-8
0.678
EDJ-MED-be9e6f63-2
0.676
EDJ-MED-7889e8da-2
0.676
MAT-POS-22373164-2
0.675
EDJ-MED-be9e6f63-1
0.673
MAT-POS-13080fc6-3
0.673
EDJ-MED-378a25ea-1
0.667
EDJ-MED-378a25ea-18
0.667
EDJ-MED-378a25ea-21
0.667
EDJ-MED-378a25ea-4
0.664
MAT-POS-22373164-3
0.664
MAT-POS-5cd9ea36-6
0.661
MAT-POS-bf364d7a-9
0.661
MAT-POS-bf364d7a-10
0.661
EDJ-MED-378a25ea-23
0.661
EDJ-MED-4f4dd660-2
0.661
MAT-POS-81ae2990-8
0.661
MAT-POS-13080fc6-1
0.658
MAT-POS-5cd9ea36-7
0.655
MAT-POS-bf364d7a-11
0.655
MAT-POS-bf364d7a-12
0.655
JOH-SUS-07b743f6-3
0.652
EDJ-MED-4f4dd660-4
0.650
MAT-POS-22373164-4
0.650
ALP-POS-07e1ed01-2
0.649
EDJ-MED-378a25ea-27
0.644
ALP-POS-6f6ae286-4
0.643
PET-UNK-19e211a9-4
0.643
MAT-POS-81ae2990-3
0.643
EDJ-MED-378a25ea-15
0.642
MAT-POS-81ae2990-6
0.640
MAT-POS-777f5926-3
0.640
ALP-POS-07e1ed01-1
0.640
MAT-POS-777f5926-4
0.640
MAT-POS-dc2604c4-3
0.640
EDJ-MED-378a25ea-33
0.639
PET-UNK-19e211a9-1
0.637
PET-UNK-615ad708-1
0.637
MAT-POS-bfd29aac-1
0.637
MAT-POS-b4d6b7fc-8
0.637
MAT-POS-81ae2990-7
0.637
PET-UNK-19e211a9-3
0.637
PET-UNK-615ad708-4
0.637
PET-UNK-19e211a9-2
0.634
PET-UNK-94036022-1
0.634
PET-UNK-94036022-8
0.634
MAT-POS-bfd29aac-2
0.634
XIA-UNK-284f966f-1
0.634
EDJ-MED-378a25ea-3
0.633
EDJ-MED-378a25ea-13
0.633
ALE-ALC-b4762a05-1
0.632