Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(F)cc34)C2)CC1 |
| MW: | 503.11 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 88.6 |
| cLogP: | 4.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-81ae2990-3
0.810
MAT-POS-97ec4bd1-1
0.790
EDJ-MED-76744c27-4
0.784
ALF-EVA-07677224-7
0.784
MAT-POS-bf364d7a-7
0.784
MAT-POS-bf364d7a-8
0.784
MAT-POS-b4d6b7fc-9
0.784
MAT-POS-81ae2990-9
0.784
MAT-POS-dc2604c4-2
0.736
MAT-POS-81ae2990-5
0.736
PET-UNK-03fd2068-3
0.724
EDJ-MED-670ad2ee-9
0.703
EDJ-MED-841e0cf0-7
0.703
EDJ-MED-670ad2ee-10
0.703
EDJ-MED-670ad2ee-8
0.696
EDJ-MED-841e0cf0-6
0.696
EDJ-MED-670ad2ee-7
0.696
EDJ-MED-841e0cf0-5
0.686
EDJ-MED-670ad2ee-5
0.686
EDJ-MED-670ad2ee-6
0.686
MAT-POS-81ae2990-4
0.664
PET-UNK-19e211a9-9
0.655
PET-UNK-19e211a9-10
0.640
MAT-POS-78ab8081-6
0.640
MAT-POS-5c19d660-2
0.640
EDJ-MED-378a25ea-10
0.637
PET-UNK-ff046148-2
0.636
EDJ-MED-378a25ea-12
0.628
MAT-POS-dd1fff26-2
0.627
MAT-POS-5cd9ea36-9
0.627
MAT-POS-5cd9ea36-10
0.627
MAT-POS-dd1fff26-1
0.627
MAT-POS-97ec4bd1-2
0.626
EDJ-MED-378a25ea-26
0.626
MAT-POS-e36d57d9-1
0.626
MAT-POS-2e8b2191-9
0.626
MAT-POS-5c19d660-3
0.624
EDJ-MED-378a25ea-8
0.624
PET-UNK-615ad708-5
0.624
PET-UNK-ff046148-1
0.624
PET-UNK-615ad708-2
0.624
PET-UNK-19e211a9-5
0.621
EDJ-MED-7889e8da-2
0.619
EDJ-MED-be9e6f63-2
0.619
XIA-UNK-c8ef6831-1
0.616
ALP-POS-395d3f9b-1
0.616
EDJ-MED-378a25ea-24
0.615
MAT-POS-78ab8081-4
0.615
EDJ-MED-378a25ea-2
0.615
EDJ-MED-378a25ea-22
0.615
MAT-POS-78ab8081-5
0.615
PET-UNK-af70882d-4
0.615
EDJ-MED-009f762b-5
0.615
MAT-POS-78ab8081-2
0.612
EDJ-MED-378a25ea-30
0.608
PET-UNK-162c14b2-2
0.607
MAT-POS-dc2604c4-1
0.607
PET-UNK-94036022-8
0.607
XIA-UNK-284f966f-1
0.607
MAT-POS-e194df51-2
0.607
MAT-POS-e194df51-1
0.607
PET-UNK-94036022-1
0.607
EDJ-MED-378a25ea-28
0.605
MAT-POS-4223bc15-6
0.604
ALP-POS-6f6ae286-4
0.603
EDJ-MED-ede277f6-10
0.603
EDJ-MED-378a25ea-14
0.603
EDJ-MED-378a25ea-6
0.602
MAT-POS-83f73d0a-1
0.602
MAT-POS-666635d5-2
0.602
EDJ-MED-378a25ea-20
0.597
MAT-POS-78ab8081-3
0.597
ALF-EVA-07677224-9
0.596
MAT-POS-81ae2990-2
0.596
EDJ-MED-378a25ea-34
0.595
PET-UNK-19e211a9-6
0.593
PET-UNK-19e211a9-7
0.593
JOH-SUS-07b743f6-6
0.593
BRU-THA-d60fe444-1
0.593
MAT-POS-4223bc15-12
0.591
EDJ-MED-4fff0a85-3
0.591
JOH-SUS-07b743f6-1
0.591
MAT-POS-bf364d7a-1
0.591
MAT-POS-bf364d7a-2
0.591
EDJ-MED-378a25ea-16
0.590
MAT-POS-c88128cb-1
0.588
MAT-POS-5cd9ea36-8
0.586
JOH-SUS-07b743f6-2
0.586
EDJ-MED-76744c27-5
0.586
EDJ-MED-7f6e5b75-1
0.586
MAT-POS-4223bc15-4
0.584
PET-UNK-ff046148-4
0.584
MAT-POS-78ab8081-1
0.584
MAT-POS-83f73d0a-2
0.584
PET-UNK-c6bcc80b-8
0.583
PET-UNK-c6bcc80b-1
0.583
JOH-SUS-07b743f6-3
0.583
EDJ-MED-378a25ea-19
0.582
EDJ-MED-378a25ea-5
0.582
MAT-POS-5cd9ea36-5
0.581