Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3c(F)cc(F)cc3C(C(=O)Nc3cncc4ccccc34)C2)CC1 |
| MW: | 482.12 |
| Fraction sp3: | 0.29 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 103.16 |
| cLogP: | 3.68 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
Nc3cncc4ccccc34)C2)CC1](/static/images/loading.7a8cbb7079d7.gif)
PET-UNK-2337ec19-1
0.808
PET-UNK-2337ec19-3
0.808
ALP-POS-c56c1477-1
0.733
BRU-THA-4b053743-1
0.733
MAT-POS-dc2604c4-1
0.670
MAT-POS-e194df51-1
0.670
MAT-POS-e194df51-2
0.670
PET-UNK-2337ec19-2
0.657
PET-UNK-2337ec19-4
0.657
MAT-POS-4223bc15-12
0.636
MAT-POS-5cd9ea36-5
0.625
MAT-POS-777f5926-3
0.616
ALP-POS-07e1ed01-1
0.616
MAT-POS-dc2604c4-3
0.616
MAT-POS-777f5926-4
0.616
MAT-POS-5cd9ea36-6
0.609
MAT-POS-bf364d7a-9
0.609
MAT-POS-bf364d7a-10
0.609
MAT-POS-5cd9ea36-7
0.603
MAT-POS-bf364d7a-11
0.603
MAT-POS-bf364d7a-12
0.603
JOH-SUS-07b743f6-3
0.598
ALP-POS-07e1ed01-2
0.583
XIA-UNK-284f966f-1
0.580
PET-UNK-94036022-1
0.580
PET-UNK-94036022-8
0.580
EDJ-MED-be9e6f63-2
0.565
EDJ-MED-7889e8da-2
0.565
MAT-POS-2e8b2191-6
0.561
MAT-POS-b4d6b7fc-9
0.557
MAT-POS-81ae2990-9
0.557
JOH-SUS-07b743f6-6
0.553
JOH-SUS-07b743f6-1
0.552
ALP-POS-c56c1477-3
0.548
JOH-SUS-07b743f6-2
0.547
MAT-POS-5cd9ea36-9
0.544
PET-UNK-ff046148-1
0.540
PET-UNK-615ad708-2
0.540
PET-UNK-615ad708-5
0.540
ALP-POS-6f6ae286-4
0.538
ALP-POS-395d3f9b-1
0.534
XIA-UNK-c8ef6831-1
0.534
MAT-POS-5cd9ea36-8
0.534
MAT-POS-dd1fff26-1
0.530
MAT-POS-5cd9ea36-10
0.530
MAT-POS-dd1fff26-2
0.530
EDJ-MED-be9e6f63-4
0.526
EDJ-MED-7889e8da-4
0.526
BRU-THA-d60fe444-1
0.523
MAT-POS-5cd9ea36-24
0.522
MAT-POS-dc2604c4-2
0.521
TET-ENA-df1c4375-1
0.521
MAT-POS-acfe5bae-4
0.521
MAT-POS-4223bc15-6
0.518
MAT-POS-bf364d7a-8
0.517
EDJ-MED-76744c27-4
0.517
ALF-EVA-07677224-7
0.517
MAT-POS-bf364d7a-7
0.517
ALF-EVA-07677224-9
0.517
PET-UNK-af70882d-2
0.513
EDJ-MED-76744c27-3
0.509
EDJ-MED-76744c27-6
0.509
MAT-POS-dc2604c4-4
0.509
MAT-POS-22373164-4
0.508
PET-UNK-af70882d-4
0.504
MAT-POS-4223bc15-4
0.504
MAT-POS-5cd9ea36-11
0.504
MAT-POS-4223bc15-5
0.500
MAT-POS-bf364d7a-2
0.500
PET-UNK-af70882d-1
0.500
MAT-POS-bf364d7a-5
0.500
EDJ-MED-378a25ea-25
0.500
MAT-POS-5cd9ea36-1
0.500
DAR-DIA-5e50e037-1
0.500
EDJ-MED-4fff0a85-3
0.500
MAT-POS-bf364d7a-1
0.500
MAT-POS-bf364d7a-6
0.500
MAT-POS-c7726e07-7
0.500
MAT-POS-c7726e07-8
0.500
MAT-POS-78ab8081-4
0.500
EDJ-MED-378a25ea-2
0.500
ALF-EVA-07677224-3
0.500
EDJ-MED-be9e6f63-3
0.500
EDJ-MED-76744c27-1
0.500
EDJ-MED-378a25ea-29
0.496
EDJ-MED-378a25ea-1
0.496
EDJ-MED-378a25ea-18
0.496
EDJ-MED-7889e8da-6
0.496
EDJ-MED-378a25ea-9
0.496
EDJ-MED-378a25ea-12
0.496
MAT-POS-5cd9ea36-12
0.496
EDJ-MED-28cccd0c-3
0.496
PET-UNK-de87a406-1
0.496
EDJ-MED-378a25ea-17
0.492
MAT-POS-22373164-2
0.492
PET-UNK-19e211a9-5
0.492
EDJ-MED-378a25ea-7
0.492
EDJ-MED-378a25ea-11
0.492
EDJ-MED-378a25ea-10
0.492
MAT-POS-4223bc15-14
0.492