Molecular Properties | |
SMILES: | CN(C)c1cc2c(NC(=O)[C@@H]3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2cn1 |
MW: | 524.14 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 119.29 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-19e211a9-7
0.761
PET-UNK-19e211a9-6
0.745
PET-UNK-19e211a9-10
0.736
MAT-POS-78ab8081-6
0.736
EDJ-MED-7889e8da-4
0.724
EDJ-MED-be9e6f63-4
0.724
MAT-POS-81ae2990-9
0.706
MAT-POS-b4d6b7fc-9
0.706
EDJ-MED-378a25ea-10
0.703
EDJ-MED-378a25ea-8
0.702
MAT-POS-78ab8081-2
0.701
PET-UNK-19e211a9-5
0.699
EDJ-MED-378a25ea-7
0.699
MAT-POS-22373164-1
0.699
EDJ-MED-378a25ea-9
0.694
EDJ-MED-378a25ea-12
0.694
EDJ-MED-7889e8da-6
0.694
EDJ-MED-378a25ea-6
0.693
EDJ-MED-378a25ea-22
0.693
MAT-POS-e36d57d9-1
0.690
MAT-POS-2e8b2191-9
0.690
PET-UNK-19e211a9-9
0.690
EDJ-MED-378a25ea-26
0.690
EDJ-MED-378a25ea-21
0.690
MAT-POS-97ec4bd1-2
0.690
MAT-POS-e194df51-1
0.688
MAT-POS-e194df51-2
0.688
MAT-POS-dc2604c4-1
0.688
PET-UNK-c6bcc80b-1
0.687
PET-UNK-c6bcc80b-8
0.687
EDJ-MED-7889e8da-2
0.685
EDJ-MED-be9e6f63-2
0.685
EDJ-MED-378a25ea-25
0.681
EDJ-MED-be9e6f63-1
0.681
MAT-POS-c7726e07-7
0.681
MAT-POS-c7726e07-8
0.681
EDJ-MED-be9e6f63-3
0.681
EDJ-MED-378a25ea-2
0.678
MAT-POS-78ab8081-4
0.678
EDJ-MED-378a25ea-24
0.678
EDJ-MED-378a25ea-16
0.678
EDJ-MED-378a25ea-15
0.678
EDJ-MED-378a25ea-1
0.675
EDJ-MED-4f4dd660-6
0.675
EDJ-MED-378a25ea-11
0.673
EDJ-MED-378a25ea-4
0.672
EDJ-MED-4f4dd660-2
0.670
EDJ-MED-378a25ea-23
0.670
MAT-POS-22373164-2
0.670
EDJ-MED-378a25ea-28
0.667
EDJ-MED-378a25ea-18
0.661
EDJ-MED-4f4dd660-4
0.658
EDJ-MED-378a25ea-20
0.658
MAT-POS-22373164-3
0.658
EDJ-MED-378a25ea-30
0.655
EDJ-MED-378a25ea-34
0.655
MAT-POS-4223bc15-12
0.655
EDJ-MED-378a25ea-27
0.653
ALP-POS-6f6ae286-4
0.652
EDJ-MED-378a25ea-14
0.650
EDJ-MED-378a25ea-33
0.647
MAT-POS-22373164-4
0.644
MAT-POS-5cd9ea36-5
0.643
EDJ-MED-378a25ea-5
0.642
EDJ-MED-378a25ea-19
0.642
EDJ-MED-378a25ea-29
0.642
EDJ-MED-378a25ea-13
0.642
ALE-ALC-b4762a05-1
0.640
ALE-ALC-1b189c66-1
0.640
EDJ-MED-378a25ea-17
0.639
MAT-POS-13080fc6-3
0.638
PET-UNK-19e211a9-4
0.637
MAT-POS-5cd9ea36-7
0.636
MAT-POS-bf364d7a-11
0.636
MAT-POS-bf364d7a-12
0.636
PET-UNK-19e211a9-1
0.632
PET-UNK-19e211a9-3
0.632
PET-UNK-615ad708-1
0.632
MAT-POS-bfd29aac-1
0.632
PET-UNK-615ad708-4
0.632
PET-UNK-19e211a9-2
0.628
MAT-POS-bfd29aac-2
0.628
EDJ-MED-378a25ea-31
0.628
EDJ-MED-378a25ea-3
0.628
MAT-POS-5cd9ea36-6
0.627
MAT-POS-bf364d7a-9
0.627
MAT-POS-bf364d7a-10
0.627
MAT-POS-81ae2990-8
0.626
ALE-ALC-3d276b90-1
0.626
EDJ-MED-378a25ea-32
0.626
ALE-ALC-e1a61ec1-1
0.624
MAT-POS-777f5926-3
0.621
ALP-POS-07e1ed01-1
0.621
MAT-POS-777f5926-4
0.621
MAT-POS-dc2604c4-3
0.621
JOH-SUS-07b743f6-3
0.617
MAT-POS-b4d6b7fc-8
0.617
MAT-POS-81ae2990-7
0.617
JOH-UNI-2440d4f3-2
0.617
ALP-POS-07e1ed01-2
0.615