Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(F)cc(Cl)c34)C2)CC1 |
| MW: | 521.07 |
| Fraction sp3: | 0.33 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 5.35 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-81ae2990-5
0.820
MAT-POS-81ae2990-8
0.810
MAT-POS-81ae2990-1
0.790
MAT-POS-81ae2990-3
0.721
EDJ-MED-ede277f6-11
0.685
MAT-POS-dd1fff26-2
0.670
MAT-POS-5cd9ea36-10
0.670
MAT-POS-dd1fff26-1
0.670
MAT-POS-81ae2990-4
0.645
MAT-POS-b4d6b7fc-8
0.636
MAT-POS-81ae2990-7
0.636
MAT-POS-13080fc6-1
0.600
MAT-POS-13080fc6-3
0.600
EDJ-MED-ede277f6-10
0.600
MAT-POS-81ae2990-6
0.596
EDJ-MED-d1555997-1
0.585
ALF-EVA-07677224-9
0.579
MAT-POS-81ae2990-9
0.579
MAT-POS-b4d6b7fc-9
0.579
PET-UNK-ff046148-2
0.575
EDJ-MED-4fff0a85-3
0.574
MAT-POS-bf364d7a-1
0.574
MAT-POS-bf364d7a-2
0.574
MAT-POS-78ab8081-5
0.571
ROB-CAM-4c532489-1
0.570
MAT-POS-78ab8081-3
0.567
MAT-POS-5cd9ea36-9
0.566
EDJ-MED-d1555997-2
0.566
EDJ-MED-7889e8da-2
0.560
EDJ-MED-be9e6f63-2
0.560
EDJ-MED-ede277f6-12
0.559
MAT-POS-666635d5-2
0.558
MAT-POS-83f73d0a-1
0.558
PET-UNK-c6bcc80b-8
0.554
PET-UNK-c6bcc80b-1
0.554
EDJ-MED-76744c27-4
0.552
ALF-EVA-07677224-7
0.552
MAT-POS-bf364d7a-7
0.552
MAT-POS-bf364d7a-8
0.552
EDJ-MED-378a25ea-10
0.551
PET-UNK-ff046148-1
0.549
PET-UNK-615ad708-5
0.549
PET-UNK-615ad708-2
0.549
JOH-SUS-07b743f6-6
0.548
PET-UNK-03fd2068-3
0.546
ALP-POS-6f6ae286-4
0.546
XIA-UNK-c8ef6831-1
0.543
ALP-POS-395d3f9b-1
0.543
MAT-POS-dc2604c4-2
0.542
PET-UNK-19e211a9-10
0.542
EDJ-MED-378a25ea-26
0.542
MAT-POS-2e8b2191-9
0.542
MAT-POS-e36d57d9-1
0.542
MAT-POS-78ab8081-6
0.542
MAT-POS-5c19d660-2
0.542
MAT-POS-5c19d660-3
0.541
MAT-POS-5c19d660-1
0.538
PET-UNK-19e211a9-5
0.537
PET-UNK-19e211a9-6
0.537
MAT-POS-97ec4bd1-1
0.537
MAT-POS-22373164-1
0.537
PET-UNK-03fd2068-4
0.536
EDJ-MED-be9e6f63-4
0.535
EDJ-MED-7889e8da-4
0.535
MAT-POS-e194df51-1
0.534
MAT-POS-e194df51-2
0.534
MAT-POS-dc2604c4-1
0.534
XIA-UNK-284f966f-1
0.534
PET-UNK-94036022-8
0.534
PET-UNK-94036022-1
0.534
EDJ-MED-378a25ea-25
0.533
EDJ-MED-be9e6f63-3
0.533
MAT-POS-c7726e07-7
0.533
MAT-POS-c7726e07-8
0.533
MAT-POS-78ab8081-4
0.533
EDJ-MED-378a25ea-2
0.533
EDJ-MED-378a25ea-22
0.533
EDJ-MED-378a25ea-24
0.533
MAT-POS-78ab8081-1
0.531
MAT-POS-83f73d0a-2
0.531
JOH-SUS-07b743f6-2
0.529
EDJ-MED-7889e8da-6
0.529
EDJ-MED-378a25ea-9
0.529
EDJ-MED-378a25ea-12
0.529
PET-UNK-19e211a9-9
0.529
MAT-POS-97ec4bd1-2
0.529
EDJ-MED-378a25ea-8
0.528
EDJ-MED-378a25ea-30
0.528
EDJ-MED-378a25ea-34
0.528
MAT-POS-4223bc15-6
0.527
EDJ-MED-76744c27-5
0.526
PET-UNK-ff046148-4
0.526
PET-UNK-19e211a9-1
0.525
MAT-POS-bfd29aac-1
0.525
EDJ-MED-ede277f6-3
0.525
EDJ-MED-378a25ea-23
0.525
EDJ-MED-4f4dd660-2
0.525
EDJ-MED-378a25ea-28
0.524
PET-UNK-19e211a9-2
0.521
MAT-POS-bfd29aac-2
0.521