Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(F)cc34)C2)CC1 |
| MW: | 487.11 |
| Fraction sp3: | 0.33 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 4.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-81ae2990-6
0.810
MAT-POS-81ae2990-9
0.808
MAT-POS-b4d6b7fc-9
0.808
PET-UNK-03fd2068-3
0.785
MAT-POS-dd1fff26-1
0.778
MAT-POS-dd1fff26-2
0.778
MAT-POS-5cd9ea36-10
0.778
EDJ-MED-670ad2ee-9
0.724
EDJ-MED-670ad2ee-10
0.724
EDJ-MED-841e0cf0-7
0.724
MAT-POS-81ae2990-2
0.721
EDJ-MED-670ad2ee-7
0.717
EDJ-MED-670ad2ee-8
0.717
EDJ-MED-841e0cf0-6
0.717
EDJ-MED-841e0cf0-5
0.707
EDJ-MED-670ad2ee-5
0.707
EDJ-MED-670ad2ee-6
0.707
EDJ-MED-ede277f6-10
0.679
MAT-POS-666635d5-2
0.676
MAT-POS-83f73d0a-1
0.676
MAT-POS-78ab8081-5
0.676
ALF-EVA-07677224-9
0.673
EDJ-MED-378a25ea-10
0.670
MAT-POS-78ab8081-3
0.670
EDJ-MED-4fff0a85-3
0.667
MAT-POS-bf364d7a-2
0.667
MAT-POS-bf364d7a-1
0.667
MAT-POS-5cd9ea36-9
0.660
MAT-POS-2e8b2191-9
0.658
EDJ-MED-378a25ea-26
0.658
MAT-POS-5c19d660-2
0.658
MAT-POS-e36d57d9-1
0.658
PET-UNK-ff046148-2
0.654
MAT-POS-81ae2990-1
0.648
EDJ-MED-378a25ea-22
0.646
EDJ-MED-378a25ea-24
0.646
EDJ-MED-378a25ea-12
0.645
PET-UNK-19e211a9-9
0.643
MAT-POS-97ec4bd1-2
0.643
MAT-POS-78ab8081-6
0.643
PET-UNK-19e211a9-10
0.643
PET-UNK-615ad708-5
0.642
PET-UNK-ff046148-1
0.642
PET-UNK-615ad708-2
0.642
MAT-POS-5c19d660-3
0.640
EDJ-MED-378a25ea-34
0.638
MAT-POS-97ec4bd1-1
0.637
EDJ-MED-7889e8da-2
0.636
EDJ-MED-be9e6f63-2
0.636
ALP-POS-395d3f9b-1
0.633
XIA-UNK-c8ef6831-1
0.633
EDJ-MED-009f762b-5
0.632
EDJ-MED-378a25ea-2
0.632
MAT-POS-78ab8081-4
0.632
ALF-EVA-07677224-7
0.627
EDJ-MED-76744c27-4
0.627
MAT-POS-bf364d7a-7
0.627
MAT-POS-bf364d7a-8
0.627
EDJ-MED-378a25ea-8
0.626
PET-UNK-162c14b2-2
0.625
MAT-POS-78ab8081-1
0.625
MAT-POS-83f73d0a-2
0.625
EDJ-MED-378a25ea-30
0.624
MAT-POS-e194df51-2
0.624
MAT-POS-dc2604c4-1
0.624
XIA-UNK-284f966f-1
0.624
MAT-POS-e194df51-1
0.624
PET-UNK-94036022-8
0.624
PET-UNK-94036022-1
0.624
FRA-DIA-6238d354-2
0.621
MAT-POS-4223bc15-6
0.621
EDJ-MED-378a25ea-28
0.621
ALP-POS-6f6ae286-4
0.619
EDJ-MED-ede277f6-12
0.619
MAT-POS-c88128cb-1
0.618
EDJ-MED-378a25ea-6
0.617
EDJ-MED-76744c27-5
0.617
MAT-POS-dc2604c4-2
0.616
PET-UNK-03fd2068-4
0.615
EDJ-MED-378a25ea-20
0.612
PET-UNK-c6bcc80b-1
0.612
PET-UNK-c6bcc80b-8
0.612
BRU-THA-d60fe444-1
0.610
JOH-SUS-07b743f6-6
0.609
PET-UNK-19e211a9-5
0.609
PET-UNK-19e211a9-6
0.609
MAT-POS-4223bc15-12
0.607
JOH-SUS-07b743f6-1
0.607
EDJ-MED-378a25ea-14
0.605
EDJ-MED-378a25ea-16
0.605
PET-UNK-af70882d-4
0.602
JOH-SUS-07b743f6-2
0.602
MAT-POS-5cd9ea36-8
0.602
MAT-POS-78ab8081-2
0.600
PET-UNK-ff046148-4
0.600
JOH-SUS-07b743f6-3
0.598
EDJ-MED-378a25ea-5
0.597
EDJ-MED-378a25ea-19
0.597
MAT-POS-5c19d660-1
0.596
MAT-POS-5cd9ea36-5
0.596