Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C(F)(F)F)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
| MW: | 601.07 |
| Fraction sp3: | 0.36 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 113.51 |
| cLogP: | 4.5 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-10-29 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
high halogen content (>3)
Hetero_hetero
ALP-POS-395d3f9b-1
EDJ-MED-378a25ea-9
0.796
EDJ-MED-7889e8da-6
0.796
EDJ-MED-ede277f6-12
0.764
ALP-POS-395d3f9b-1
0.750
MAT-POS-5c19d660-2
0.694
EDJ-MED-378a25ea-11
0.676
MAT-POS-5c19d660-3
0.675
EDJ-MED-ede277f6-2
0.655
EDJ-MED-be9e6f63-4
0.648
EDJ-MED-7889e8da-4
0.648
PET-UNK-ff046148-2
0.645
EDJ-MED-be9e6f63-3
0.640
EDJ-MED-378a25ea-25
0.640
MAT-POS-c7726e07-7
0.640
MAT-POS-c7726e07-8
0.640
EDJ-MED-378a25ea-21
0.635
EDJ-MED-7889e8da-5
0.631
EDJ-MED-0186a59b-3
0.631
MAT-POS-22373164-1
0.629
EDJ-MED-be9e6f63-2
0.628
EDJ-MED-7889e8da-2
0.628
MAT-POS-5cd9ea36-10
0.622
MAT-POS-dd1fff26-1
0.622
MAT-POS-dd1fff26-2
0.622
EDJ-MED-378a25ea-1
0.621
EDJ-MED-ede277f6-8
0.617
EDJ-MED-378a25ea-10
0.617
MAT-POS-22373164-2
0.615
EDJ-MED-378a25ea-23
0.615
EDJ-MED-4f4dd660-2
0.615
ALP-POS-6f6ae286-4
0.612
EDJ-MED-ede277f6-10
0.612
EDJ-MED-be9e6f63-1
0.612
EDJ-MED-378a25ea-33
0.608
MAT-POS-5cd9ea36-9
0.607
EDJ-MED-378a25ea-18
0.607
EDJ-MED-4f4dd660-4
0.605
MAT-POS-22373164-3
0.605
PET-UNK-615ad708-5
0.604
PET-UNK-ff046148-1
0.604
PET-UNK-615ad708-2
0.604
EDJ-MED-ede277f6-6
0.603
EDJ-MED-378a25ea-29
0.603
EDJ-MED-378a25ea-7
0.602
EDJ-MED-378a25ea-27
0.600
EDJ-MED-378a25ea-15
0.598
XIA-UNK-c8ef6831-1
0.596
MAT-POS-81ae2990-3
0.596
PET-UNK-ff046148-4
0.593
PET-UNK-03fd2068-4
0.593
PET-UNK-c6bcc80b-1
0.592
PET-UNK-c6bcc80b-8
0.592
MAT-POS-22373164-4
0.592
EDJ-MED-378a25ea-4
0.592
ALF-EVA-07677224-7
0.591
EDJ-MED-76744c27-4
0.591
MAT-POS-bf364d7a-7
0.591
MAT-POS-bf364d7a-8
0.591
MAT-POS-e194df51-2
0.588
PET-UNK-94036022-1
0.588
XIA-UNK-284f966f-1
0.588
MAT-POS-dc2604c4-1
0.588
PET-UNK-94036022-8
0.588
MAT-POS-e194df51-1
0.588
JOH-SUS-07b743f6-6
0.588
EDJ-MED-378a25ea-17
0.587
PET-UNK-ff046148-3
0.586
PET-UNK-de87a406-1
0.584
MAT-POS-4223bc15-6
0.583
EDJ-MED-4f4dd660-6
0.582
MAT-POS-dc2604c4-2
0.581
EDJ-MED-378a25ea-12
0.581
ALF-EVA-07677224-9
0.578
JOH-SUS-07b743f6-3
0.578
EDJ-MED-378a25ea-3
0.577
EDJ-MED-378a25ea-13
0.577
EDJ-MED-378a25ea-31
0.577
ALP-POS-07e1ed01-2
0.576
PET-UNK-19e211a9-5
0.575
PET-UNK-19e211a9-6
0.575
BRU-THA-d60fe444-1
0.573
MAT-POS-4223bc15-12
0.573
MAT-POS-bf364d7a-2
0.573
EDJ-MED-4fff0a85-3
0.573
JOH-SUS-07b743f6-1
0.573
MAT-POS-bf364d7a-1
0.573
MAT-POS-5cd9ea36-8
0.568
JOH-SUS-07b743f6-2
0.568
MAT-POS-81ae2990-6
0.568
PET-UNK-af70882d-4
0.566
EDJ-MED-7f6e5b75-1
0.566
EDJ-MED-4fff0a85-2
0.565
MAT-POS-b4d6b7fc-9
0.564
MAT-POS-81ae2990-9
0.564
MAT-POS-5cd9ea36-5
0.563
MAT-POS-5cd9ea36-6
0.562
MAT-POS-bf364d7a-9
0.562
MAT-POS-bf364d7a-10
0.562
EDJ-MED-76744c27-3
0.558
EDJ-MED-378a25ea-22
0.557