Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cc(S(C)(=O)=O)cc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c12 |
| MW: | 572.1 |
| Fraction sp3: | 0.35 |
| HBA: | 7 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 137.3 |
| cLogP: | 3.77 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-13080fc6-1
0.725
MAT-POS-81ae2990-8
0.713
EDJ-MED-378a25ea-10
0.700
EDJ-MED-378a25ea-9
0.691
EDJ-MED-7889e8da-6
0.691
MAT-POS-81ae2990-7
0.688
MAT-POS-b4d6b7fc-8
0.688
EDJ-MED-378a25ea-12
0.676
MAT-POS-13080fc6-6
0.673
PET-UNK-19e211a9-10
0.673
MAT-POS-78ab8081-6
0.673
EDJ-MED-be9e6f63-3
0.664
MAT-POS-c7726e07-7
0.664
MAT-POS-c7726e07-8
0.664
EDJ-MED-378a25ea-25
0.664
EDJ-MED-378a25ea-24
0.661
EDJ-MED-378a25ea-26
0.658
MAT-POS-e36d57d9-1
0.658
MAT-POS-2e8b2191-9
0.658
MAT-POS-97ec4bd1-2
0.658
MAT-POS-bfd29aac-1
0.658
PET-UNK-19e211a9-1
0.658
MAT-POS-81ae2990-9
0.658
MAT-POS-b4d6b7fc-9
0.658
EDJ-MED-7889e8da-4
0.657
EDJ-MED-be9e6f63-4
0.657
EDJ-MED-378a25ea-8
0.655
PET-UNK-19e211a9-2
0.655
MAT-POS-bfd29aac-2
0.655
MAT-POS-22373164-1
0.652
EDJ-MED-378a25ea-16
0.647
EDJ-MED-378a25ea-22
0.647
PET-UNK-19e211a9-9
0.643
PET-UNK-c6bcc80b-1
0.641
PET-UNK-c6bcc80b-8
0.641
EDJ-MED-378a25ea-11
0.640
MAT-POS-dc2604c4-1
0.640
MAT-POS-e194df51-1
0.640
MAT-POS-e194df51-2
0.640
EDJ-MED-378a25ea-34
0.639
PET-UNK-19e211a9-6
0.638
PET-UNK-19e211a9-8
0.638
EDJ-MED-378a25ea-23
0.638
EDJ-MED-4f4dd660-2
0.638
EDJ-MED-378a25ea-7
0.638
MAT-POS-22373164-2
0.638
EDJ-MED-378a25ea-2
0.632
MAT-POS-78ab8081-4
0.632
EDJ-MED-378a25ea-6
0.632
EDJ-MED-378a25ea-18
0.629
EDJ-MED-378a25ea-21
0.629
MAT-POS-78ab8081-2
0.628
EDJ-MED-4f4dd660-4
0.627
MAT-POS-22373164-3
0.627
PET-UNK-19e211a9-5
0.624
PET-UNK-19e211a9-7
0.624
EDJ-MED-7889e8da-2
0.623
EDJ-MED-be9e6f63-2
0.623
EDJ-MED-378a25ea-28
0.622
EDJ-MED-be9e6f63-1
0.621
EDJ-MED-378a25ea-15
0.620
EDJ-MED-378a25ea-33
0.617
EDJ-MED-4f4dd660-6
0.617
EDJ-MED-378a25ea-1
0.615
EDJ-MED-378a25ea-20
0.613
MAT-POS-22373164-4
0.613
MAT-POS-4223bc15-12
0.609
EDJ-MED-378a25ea-14
0.607
PET-UNK-19e211a9-4
0.605
EDJ-MED-378a25ea-4
0.600
MAT-POS-81ae2990-2
0.600
EDJ-MED-378a25ea-5
0.598
EDJ-MED-378a25ea-19
0.598
EDJ-MED-378a25ea-30
0.598
MAT-POS-5cd9ea36-5
0.598
EDJ-MED-378a25ea-27
0.595
ALP-POS-6f6ae286-4
0.593
PET-UNK-615ad708-4
0.586
PET-UNK-19e211a9-3
0.586
PET-UNK-615ad708-1
0.586
EDJ-MED-378a25ea-13
0.585
ALP-POS-07e1ed01-2
0.585
EDJ-MED-378a25ea-32
0.584
MAT-POS-5cd9ea36-6
0.583
MAT-POS-bf364d7a-9
0.583
MAT-POS-bf364d7a-10
0.583
EDJ-MED-378a25ea-17
0.582
ALE-ALC-3d276b90-1
0.581
ALE-ALC-b4762a05-1
0.581
ALE-ALC-1b189c66-1
0.581
ALE-ALC-e1a61ec1-1
0.580
MAT-POS-5cd9ea36-7
0.579
MAT-POS-bf364d7a-11
0.579
MAT-POS-bf364d7a-12
0.579
EDJ-MED-343bb62d-4
0.578
MAT-POS-81ae2990-1
0.578
MAT-POS-81ae2990-5
0.576
EDJ-MED-d1555997-2
0.574
JOH-UNI-2440d4f3-2
0.573
JOH-SUS-07b743f6-3
0.573