Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cccc(Cl)c34)C2)CC1 |
| MW: | 503.08 |
| Fraction sp3: | 0.33 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 5.21 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-ede277f6-11
0.866
MAT-POS-81ae2990-4
0.818
MAT-POS-81ae2990-7
0.808
MAT-POS-b4d6b7fc-8
0.808
MAT-POS-81ae2990-2
0.790
MAT-POS-5cd9ea36-10
0.676
MAT-POS-dd1fff26-2
0.676
MAT-POS-dd1fff26-1
0.676
EDJ-MED-ede277f6-3
0.670
MAT-POS-81ae2990-3
0.648
MAT-POS-81ae2990-5
0.645
MAT-POS-81ae2990-8
0.636
ROB-CAM-4c532489-1
0.621
EDJ-MED-d1555997-2
0.618
EDJ-MED-0186a59b-4
0.617
EDJ-MED-d1555997-1
0.606
MAT-POS-13080fc6-1
0.605
EDJ-MED-ede277f6-9
0.595
EDJ-MED-4fff0a85-3
0.593
MAT-POS-bf364d7a-1
0.593
MAT-POS-bf364d7a-2
0.593
EDJ-MED-ede277f6-5
0.589
ALF-EVA-07677224-9
0.584
MAT-POS-13080fc6-3
0.578
EDJ-MED-ede277f6-12
0.578
MAT-POS-5cd9ea36-9
0.571
EDJ-MED-ede277f6-10
0.564
MAT-POS-78ab8081-5
0.563
MAT-POS-78ab8081-3
0.558
ALF-EVA-07677224-7
0.557
EDJ-MED-76744c27-4
0.557
MAT-POS-bf364d7a-7
0.557
MAT-POS-bf364d7a-8
0.557
PET-UNK-615ad708-2
0.554
PET-UNK-ff046148-1
0.554
PET-UNK-615ad708-5
0.554
PET-UNK-94036022-1
0.553
XIA-UNK-284f966f-1
0.553
PET-UNK-94036022-8
0.553
MAT-POS-666635d5-2
0.550
MAT-POS-83f73d0a-1
0.550
XIA-UNK-c8ef6831-1
0.548
MAT-POS-dc2604c4-2
0.547
MAT-POS-5cd9ea36-8
0.547
MAT-POS-bfd29aac-1
0.543
PET-UNK-19e211a9-1
0.543
ALP-POS-07e1ed01-2
0.542
MAT-POS-22373164-1
0.542
EDJ-MED-7889e8da-4
0.540
EDJ-MED-be9e6f63-4
0.540
MAT-POS-e194df51-1
0.539
MAT-POS-dc2604c4-1
0.539
MAT-POS-e194df51-2
0.539
JOH-SUS-07b743f6-6
0.539
EDJ-MED-378a25ea-33
0.537
ALP-POS-395d3f9b-1
0.534
EDJ-MED-378a25ea-9
0.534
EDJ-MED-7889e8da-6
0.534
MAT-POS-81ae2990-6
0.534
PET-UNK-c6bcc80b-1
0.533
PET-UNK-c6bcc80b-8
0.533
PET-UNK-e274cad4-8
0.533
MAT-POS-4223bc15-6
0.532
EDJ-MED-378a25ea-10
0.529
MAT-POS-5c19d660-1
0.529
EDJ-MED-378a25ea-23
0.529
EDJ-MED-4f4dd660-2
0.529
PET-UNK-19e211a9-2
0.526
MAT-POS-bfd29aac-2
0.526
PET-UNK-ff046148-2
0.526
MAT-POS-4223bc15-12
0.525
EDJ-MED-be9e6f63-1
0.525
EDJ-MED-378a25ea-25
0.525
EDJ-MED-be9e6f63-3
0.525
MAT-POS-c7726e07-7
0.525
MAT-POS-c7726e07-8
0.525
MAT-POS-78ab8081-1
0.523
MAT-POS-83f73d0a-2
0.523
EDJ-MED-378a25ea-21
0.521
PET-UNK-19e211a9-10
0.521
EDJ-MED-378a25ea-26
0.521
MAT-POS-e36d57d9-1
0.521
MAT-POS-2e8b2191-9
0.521
MAT-POS-78ab8081-6
0.521
EDJ-MED-4f4dd660-4
0.520
EDJ-MED-378a25ea-34
0.520
PET-UNK-af70882d-4
0.518
EDJ-MED-76744c27-5
0.518
MAT-POS-81ae2990-9
0.517
MAT-POS-b4d6b7fc-9
0.517
JOH-SUS-07b743f6-3
0.517
MAT-POS-5cd9ea36-5
0.517
EDJ-MED-378a25ea-7
0.516
MAT-POS-97ec4bd1-1
0.516
EDJ-MED-7889e8da-2
0.513
EDJ-MED-be9e6f63-2
0.513
JOH-SUS-07b743f6-1
0.513
MAT-POS-78ab8081-4
0.512
EDJ-MED-378a25ea-22
0.512
MAT-POS-5cd9ea36-7
0.512