Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cccc(Cl)c34)C2)CC1 |
| MW: | 519.08 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 88.6 |
| cLogP: | 4.59 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-81ae2990-1
0.818
MAT-POS-81ae2990-5
0.794
MAT-POS-81ae2990-7
0.792
MAT-POS-b4d6b7fc-8
0.792
EDJ-MED-ede277f6-11
0.777
ALF-EVA-07677224-7
0.692
EDJ-MED-76744c27-4
0.692
MAT-POS-bf364d7a-7
0.692
MAT-POS-bf364d7a-8
0.692
MAT-POS-81ae2990-6
0.664
EDJ-MED-ede277f6-3
0.658
MAT-POS-dc2604c4-2
0.649
MAT-POS-81ae2990-2
0.645
MAT-POS-97ec4bd1-1
0.640
MAT-POS-81ae2990-8
0.625
EDJ-MED-0186a59b-4
0.606
EDJ-MED-ede277f6-5
0.593
EDJ-MED-d1555997-2
0.590
EDJ-MED-ede277f6-9
0.584
MAT-POS-13080fc6-1
0.581
ROB-CAM-4c532489-1
0.579
EDJ-MED-d1555997-1
0.565
MAT-POS-13080fc6-3
0.555
MAT-POS-5cd9ea36-9
0.548
MAT-POS-5cd9ea36-10
0.548
MAT-POS-dd1fff26-1
0.548
MAT-POS-dd1fff26-2
0.548
PET-UNK-615ad708-2
0.544
PET-UNK-615ad708-5
0.544
PET-UNK-ff046148-1
0.544
XIA-UNK-284f966f-1
0.543
PET-UNK-94036022-1
0.543
PET-UNK-94036022-8
0.543
XIA-UNK-c8ef6831-1
0.538
MAT-POS-5cd9ea36-8
0.538
PET-UNK-af70882d-4
0.535
MAT-POS-bfd29aac-1
0.534
PET-UNK-19e211a9-1
0.534
ALP-POS-07e1ed01-2
0.533
EDJ-MED-7889e8da-4
0.530
EDJ-MED-be9e6f63-4
0.530
MAT-POS-dc2604c4-1
0.530
MAT-POS-e194df51-1
0.530
MAT-POS-e194df51-2
0.530
JOH-SUS-07b743f6-6
0.530
EDJ-MED-4fff0a85-3
0.529
MAT-POS-bf364d7a-1
0.529
MAT-POS-bf364d7a-2
0.529
EDJ-MED-be9e6f63-1
0.529
ALP-POS-395d3f9b-1
0.525
MAT-POS-81ae2990-3
0.525
PET-UNK-19e211a9-9
0.525
MAT-POS-4223bc15-6
0.523
ALF-EVA-07677224-9
0.521
PET-UNK-19e211a9-5
0.520
PET-UNK-19e211a9-7
0.520
EDJ-MED-378a25ea-7
0.520
PET-UNK-19e211a9-2
0.517
PET-UNK-ff046148-2
0.517
MAT-POS-bfd29aac-2
0.517
MAT-POS-4223bc15-12
0.517
EDJ-MED-378a25ea-9
0.512
EDJ-MED-7889e8da-6
0.512
EDJ-MED-378a25ea-1
0.512
PET-UNK-19e211a9-10
0.512
MAT-POS-78ab8081-6
0.512
PET-UNK-c6bcc80b-1
0.512
PET-UNK-c6bcc80b-8
0.512
EDJ-MED-0186a59b-8
0.509
MIK-ENA-5d9157e9-3
0.509
MIK-ENA-5d9157e9-4
0.509
EDJ-MED-7f6e5b75-1
0.509
MAT-POS-4223bc15-4
0.508
JOH-SUS-07b743f6-3
0.508
MAT-POS-81ae2990-9
0.508
MAT-POS-b4d6b7fc-9
0.508
MAT-POS-5cd9ea36-5
0.508
EDJ-MED-378a25ea-10
0.508
MAT-POS-5c19d660-1
0.508
ALE-ALC-159be365-1
0.508
EDJ-MED-378a25ea-23
0.508
EDJ-MED-4f4dd660-2
0.508
MAT-POS-22373164-1
0.508
EDJ-MED-7889e8da-2
0.504
EDJ-MED-be9e6f63-2
0.504
JOH-SUS-07b743f6-1
0.504
EDJ-MED-378a25ea-25
0.504
EDJ-MED-be9e6f63-3
0.504
EDJ-MED-ede277f6-10
0.504
EDJ-MED-ede277f6-12
0.504
MAT-POS-c7726e07-7
0.504
MAT-POS-c7726e07-8
0.504
MAT-POS-5cd9ea36-7
0.504
EDJ-MED-378a25ea-2
0.504
MAT-POS-78ab8081-4
0.504
MAT-POS-bf364d7a-11
0.504
MAT-POS-bf364d7a-12
0.504
MAT-POS-78ab8081-5
0.504
EDJ-MED-378a25ea-33
0.504
MAT-POS-78ab8081-2
0.504