Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CCOc2ccc(Cl)cc21 |
MW: | 446.07 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.59 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDJ-MED-611d11e7-1
1.000
ALF-EVA-82cf4849-8
0.874
EDG-MED-10fcb19e-3
0.864
EDJ-MED-611d11e7-4
0.773
MAT-POS-a5ef2d74-2
0.773
MAT-POS-ec6d90b7-4
0.773
PET-UNK-a7639856-1
0.763
EDG-MED-10fcb19e-1
0.763
EDJ-MED-611d11e7-7
0.747
MAT-POS-96f51285-1
0.747
MAT-POS-24589f88-1
0.747
PET-UNK-ee8352fa-1
0.747
EDJ-MED-93390d0c-4
0.734
ALP-POS-93b3621f-3
0.723
PET-UNK-29afea89-2
0.722
EDJ-MED-d08626de-2
0.722
EDG-MED-0e5afe9d-3
0.722
EDJ-MED-d08626de-1
0.722
PET-UNK-a7639856-2
0.716
ALF-EVA-82cf4849-11
0.708
ALF-EVA-82cf4849-13
0.701
MAT-POS-a5ef2d74-3
0.696
EDJ-MED-611d11e7-10
0.696
PET-UNK-f4e47ebd-17
0.696
EDG-MED-10fcb19e-5
0.694
EDJ-MED-6bf93aa8-1
0.691
ALF-EVA-82cf4849-12
0.687
PET-UNK-81b485b5-12
0.684
PET-UNK-81b485b5-26
0.684
EDG-MED-10fcb19e-2
0.673
ALF-EVA-82cf4849-4
0.670
MIC-UNK-7f86385f-1
0.667
PET-UNK-f4e47ebd-18
0.667
PET-UNK-b38839dc-19
0.667
PET-UNK-b38839dc-20
0.667
EDJ-MED-1b46f08e-1
0.667
PET-UNK-a7639856-3
0.663
PET-UNK-ee8352fa-2
0.660
PET-UNK-ee8352fa-3
0.660
MAR-UCB-fd2e172f-41
0.656
PET-UNK-b38839dc-18
0.656
MIC-UNK-7f86385f-2
0.653
PET-UNK-b566c0b0-2
0.653
MIC-UNK-7f86385f-4
0.650
MIC-UNK-7f86385f-5
0.644
PET-UNK-5d7c542f-2
0.643
PET-UNK-5d7c542f-1
0.639
PET-UNK-f4e47ebd-19
0.639
ALP-POS-6f6ae286-3
0.639
PET-UNK-0df12184-2
0.638
MIC-UNK-7f86385f-3
0.635
ALP-POS-93b3621f-4
0.620
MAR-UCB-fd2e172f-25
0.615
PET-UNK-0df12184-5
0.615
MAR-UCB-fd2e172f-24
0.615
PET-UNK-0df12184-1
0.608
MAR-UCB-fd2e172f-20
0.602
PET-UNK-c761fc18-1
0.602
MAR-UCB-fd2e172f-31
0.602
EDJ-MED-923a35c2-1
0.598
FRA-DIA-6238d354-1
0.598
PET-UNK-0df12184-4
0.598
PET-UNK-c761fc18-5
0.598
ALP-POS-5de921e7-1
0.596
EDJ-MED-946e547c-1
0.592
PET-UNK-0df12184-3
0.592
PET-UNK-bcc8fd08-2
0.590
PET-UNK-3bb57da2-3
0.588
JOH-UNI-6e27fddc-1
0.586
MAR-UCB-fd2e172f-13
0.584
MAR-UCB-fd2e172f-43
0.584
PET-UNK-3bb57da2-1
0.583
PET-UNK-4880b143-1
0.581
PET-UNK-03fd2068-7
0.580
PET-UNK-0cc03aae-3
0.579
MAR-UCB-fd2e172f-28
0.578
MAR-UCB-fd2e172f-21
0.577
PET-UNK-49566573-3
0.570
MAR-UCB-6ab2ec87-3
0.567
JOH-UNI-99d163e5-6
0.564
EDG-MED-4c68219f-16
0.562
MAR-UCB-fd2e172f-2
0.560
MAR-UCB-fd2e172f-27
0.560
PET-UNK-824b5c6a-1
0.559
PET-UNK-824b5c6a-2
0.558
EDJ-MED-93390d0c-3
0.558
PET-UNK-3bb57da2-2
0.557
PET-UNK-5d7c542f-4
0.557
PET-UNK-5d7c542f-3
0.556
PET-UNK-0cc03aae-4
0.555
PET-UNK-824b5c6a-3
0.553
EDJ-MED-ee742daa-1
0.551
ED_-GRI-5b13fbe2-29
0.550
JOH-UNI-99d163e5-2
0.550
ALP-POS-e6e0c683-2
0.550
MAR-UCB-fd2e172f-22
0.550
DAR-DIA-e7614d05-2
0.549
DAR-DIA-e7614d05-3
0.549
PET-UNK-bcc8fd08-1
0.549
DAR-DIA-e7614d05-1
0.549