Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(F)ccc34)C2)CS(=O)(=O)C1 |
| MW: | 551.08 |
| Fraction sp3: | 0.33 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 113.51 |
| cLogP: | 3.33 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-09-30 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-ede277f6-12
0.790
PET-UNK-ff046148-2
0.784
MAT-POS-bf364d7a-1
0.779
EDJ-MED-4fff0a85-3
0.779
MAT-POS-bf364d7a-2
0.779
EDJ-MED-7889e8da-2
0.762
EDJ-MED-be9e6f63-2
0.762
PET-UNK-03fd2068-4
0.747
ALP-POS-6f6ae286-4
0.741
PET-UNK-ff046148-4
0.740
PET-UNK-ff046148-3
0.713
MAT-POS-83f73d0a-1
0.690
MAT-POS-78ab8081-5
0.690
MAT-POS-666635d5-2
0.690
MAT-POS-78ab8081-3
0.684
MAT-POS-81ae2990-3
0.679
EDJ-MED-ede277f6-11
0.661
MAT-POS-dd1fff26-1
0.661
MAT-POS-dd1fff26-2
0.661
MAT-POS-5cd9ea36-10
0.661
EDJ-MED-ede277f6-1
0.649
ALP-POS-6f6ae286-6
0.649
BEN-DND-f06bfa8e-3
0.649
ALF-EVA-07677224-9
0.643
MAT-POS-83f73d0a-2
0.639
MAT-POS-78ab8081-1
0.639
EDJ-MED-7889e8da-4
0.627
EDJ-MED-be9e6f63-4
0.627
MAT-POS-5cd9ea36-9
0.616
EDJ-MED-0186a59b-1
0.613
EDJ-MED-7889e8da-1
0.613
ALP-POS-6f6ae286-5
0.613
BEN-DND-f06bfa8e-2
0.613
MAT-POS-5c19d660-1
0.612
EDJ-MED-be9e6f63-1
0.607
EDJ-MED-378a25ea-9
0.603
EDJ-MED-7889e8da-6
0.603
MAT-POS-81ae2990-6
0.603
EDJ-MED-378a25ea-1
0.602
MAT-POS-81ae2990-9
0.600
MAT-POS-b4d6b7fc-9
0.600
MAT-POS-81ae2990-2
0.600
PET-UNK-615ad708-5
0.598
PET-UNK-ff046148-1
0.598
PET-UNK-615ad708-2
0.598
JOH-SUS-07b743f6-6
0.596
EDJ-MED-be9e6f63-3
0.593
EDJ-MED-378a25ea-25
0.593
MAT-POS-c7726e07-7
0.593
MAT-POS-c7726e07-8
0.593
MAT-POS-4223bc15-6
0.593
ALP-POS-395d3f9b-1
0.591
EDJ-MED-ede277f6-7
0.591
XIA-UNK-c8ef6831-1
0.591
EDJ-MED-378a25ea-33
0.590
EDJ-MED-378a25ea-18
0.588
EDJ-MED-378a25ea-21
0.588
ALF-EVA-07677224-7
0.586
EDJ-MED-76744c27-4
0.586
MAT-POS-bf364d7a-7
0.586
MAT-POS-bf364d7a-8
0.586
EDJ-MED-ede277f6-4
0.586
JOH-SUS-07b743f6-3
0.586
EDJ-MED-378a25ea-29
0.585
ALP-POS-07e1ed01-2
0.585
EDJ-MED-378a25ea-11
0.585
MAT-POS-22373164-1
0.583
MAT-POS-22373164-2
0.583
EDJ-MED-378a25ea-23
0.583
EDJ-MED-4f4dd660-2
0.583
EDJ-MED-378a25ea-7
0.583
XIA-UNK-284f966f-1
0.583
MAT-POS-e194df51-1
0.583
PET-UNK-94036022-8
0.583
PET-UNK-94036022-1
0.583
MAT-POS-e194df51-2
0.583
MAT-POS-dc2604c4-1
0.583
BRU-THA-d60fe444-1
0.582
JOH-SUS-07b743f6-1
0.581
EDJ-MED-28cccd0c-3
0.579
MAT-POS-5cd9ea36-7
0.579
MAT-POS-bf364d7a-11
0.579
MAT-POS-bf364d7a-12
0.579
JOH-SUS-07b743f6-2
0.576
MAT-POS-5cd9ea36-8
0.576
MAT-POS-dc2604c4-2
0.576
PET-UNK-af70882d-4
0.575
EDJ-MED-76744c27-5
0.575
MAT-POS-22373164-4
0.574
PET-UNK-c6bcc80b-1
0.574
PET-UNK-c6bcc80b-8
0.574
EDJ-MED-4f4dd660-4
0.574
MAT-POS-22373164-3
0.574
PET-UNK-19e211a9-5
0.570
PET-UNK-19e211a9-6
0.570
MAT-POS-5cd9ea36-6
0.570
MAT-POS-bf364d7a-9
0.570
MAT-POS-bf364d7a-10
0.570
PET-UNK-af70882d-2
0.570
EDJ-MED-378a25ea-17
0.569