Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C(F)(F)F)CC4)Cc4ccc(Cl)cc43)c2c1 |
| MW: | 581.14 |
| Fraction sp3: | 0.41 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 99.6 |
| cLogP: | 5.33 |
| 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
MAT-POS-97ec4bd1-2
0.810
MAT-POS-97ec4bd1-1
0.802
MAT-POS-666635d5-2
0.778
MAT-POS-83f73d0a-1
0.778
MAT-POS-c88128cb-1
0.769
MAT-POS-5c19d660-3
0.755
ALP-POS-395d3f9b-1
0.736
MAT-POS-c88128cb-2
0.727
MAT-POS-5c19d660-1
0.694
MAT-POS-81ae2990-3
0.658
MAT-POS-81ae2990-6
0.640
MAT-POS-b4d6b7fc-9
0.637
MAT-POS-81ae2990-9
0.637
EDJ-MED-378a25ea-26
0.624
MAT-POS-e36d57d9-1
0.624
MAT-POS-2e8b2191-9
0.624
EDJ-MED-378a25ea-10
0.621
MAT-POS-97ec4bd1-3
0.619
EDJ-MED-378a25ea-24
0.613
EDJ-MED-378a25ea-12
0.612
PET-UNK-19e211a9-10
0.610
MAT-POS-78ab8081-6
0.610
PET-UNK-19e211a9-9
0.610
EDJ-MED-378a25ea-30
0.607
EDJ-MED-378a25ea-28
0.603
EDJ-MED-378a25ea-2
0.600
MAT-POS-78ab8081-4
0.600
EDJ-MED-378a25ea-6
0.600
EDJ-MED-378a25ea-22
0.600
MAT-POS-5cd9ea36-9
0.596
MAT-POS-5cd9ea36-10
0.596
MAT-POS-dd1fff26-1
0.596
MAT-POS-dd1fff26-2
0.596
EDJ-MED-378a25ea-20
0.595
EDJ-MED-378a25ea-8
0.595
PET-UNK-615ad708-2
0.593
PET-UNK-615ad708-5
0.593
PET-UNK-ff046148-1
0.593
JOH-SUS-07b743f6-1
0.590
PET-UNK-de87a406-1
0.588
MAT-POS-78ab8081-5
0.587
XIA-UNK-c8ef6831-1
0.586
MAT-POS-78ab8081-3
0.582
EDJ-MED-76744c27-4
0.581
MAT-POS-bf364d7a-7
0.581
ALF-EVA-07677224-7
0.581
MAT-POS-bf364d7a-8
0.581
EDJ-MED-378a25ea-5
0.581
EDJ-MED-378a25ea-34
0.581
PET-UNK-03fd2068-3
0.578
MAT-POS-dc2604c4-1
0.578
MAT-POS-e194df51-1
0.578
MAT-POS-e194df51-2
0.578
XIA-UNK-284f966f-1
0.578
PET-UNK-94036022-1
0.578
PET-UNK-94036022-8
0.578
EDJ-MED-378a25ea-14
0.576
EDJ-MED-378a25ea-16
0.576
MAT-POS-4223bc15-6
0.573
MAT-POS-dc2604c4-2
0.571
MAT-POS-78ab8081-2
0.571
EDJ-MED-7f6e5b75-1
0.570
PET-UNK-c6bcc80b-1
0.569
PET-UNK-c6bcc80b-8
0.569
EDJ-MED-378a25ea-19
0.568
ALF-EVA-07677224-9
0.568
PET-UNK-19e211a9-6
0.566
PET-UNK-19e211a9-7
0.566
PET-UNK-19e211a9-5
0.566
EDJ-MED-be9e6f63-4
0.565
EDJ-MED-7889e8da-4
0.565
PET-UNK-ff046148-2
0.564
JOH-SUS-07b743f6-6
0.564
MAT-POS-4223bc15-12
0.563
EDJ-MED-4fff0a85-3
0.563
MAT-POS-bf364d7a-1
0.563
MAT-POS-bf364d7a-2
0.563
EDJ-MED-841e0cf0-7
0.562
EDJ-MED-670ad2ee-9
0.562
EDJ-MED-670ad2ee-10
0.562
BRU-THA-d60fe444-1
0.562
MAT-POS-c7726e07-7
0.562
EDJ-MED-378a25ea-25
0.562
MAT-POS-c7726e07-8
0.562
EDJ-MED-be9e6f63-3
0.562
FRA-DIA-6238d354-2
0.559
JOH-SUS-07b743f6-2
0.558
MAT-POS-5cd9ea36-8
0.558
EDJ-MED-670ad2ee-7
0.558
EDJ-MED-670ad2ee-8
0.558
EDJ-MED-841e0cf0-6
0.558
PET-UNK-af70882d-4
0.557
EDJ-MED-76744c27-5
0.557
EDJ-MED-4fff0a85-2
0.556
EDJ-MED-378a25ea-32
0.555
JOH-SUS-07b743f6-3
0.555
MAT-POS-5cd9ea36-5
0.554
ALP-POS-07e1ed01-2
0.554
PET-UNK-19e211a9-8
0.553
MAT-POS-22373164-2
0.553