Molecular Properties | |
SMILES: | CS(=O)(=O)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 537.08 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 122.74 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
PET-UNK-ad758083-1
0.879
PET-UNK-0d6841fa-2
0.825
ALP-POS-5290f14d-1
0.755
PET-UNK-9bf1291a-1
0.755
MIC-UNK-ea4eb352-2
0.755
PET-UNK-ad758083-2
0.733
PET-UNK-bcc8fd08-4
0.717
EDJ-MED-e9a22d5d-2
0.673
PET-UNK-0d6841fa-4
0.667
PET-UNK-0d6841fa-6
0.660
PET-UNK-757f8bc8-3
0.638
PET-UNK-6da3dcd8-2
0.626
EDJ-MED-cf877e1d-2
0.625
PET-UNK-88d26eaf-1
0.625
PET-UNK-6da3dcd8-8
0.618
EDJ-MED-b1cef252-2
0.618
MAT-POS-89bd6af1-2
0.618
MAT-POS-83a7b0a0-2
0.618
MIC-UNK-6e9f8a43-1
0.618
JOH-UNI-e398da21-2
0.618
PET-UNK-757f8bc8-4
0.617
PET-UNK-4880b143-1
0.607
EDJ-MED-841e0cf0-3
0.606
EDJ-MED-670ad2ee-3
0.606
EDJ-MED-923a35c2-5
0.606
PET-UNK-6da3dcd8-1
0.602
PET-UNK-757f8bc8-2
0.600
PET-UNK-0d6841fa-5
0.596
PET-UNK-757f8bc8-1
0.595
EDJ-MED-841e0cf0-2
0.589
EDJ-MED-670ad2ee-2
0.589
MIC-UNK-ea4eb352-10
0.589
EDJ-MED-670ad2ee-1
0.587
EDJ-MED-841e0cf0-1
0.587
MIC-UNK-ea4eb352-6
0.587
PET-UNK-757f8bc8-7
0.583
PET-UNK-c65ea24c-1
0.583
PET-UNK-bcc8fd08-5
0.583
PET-UNK-0d6841fa-3
0.582
PET-UNK-f4e47ebd-24
0.581
PET-UNK-f4e47ebd-25
0.581
FRA-DIA-6238d354-1
0.579
EDJ-MED-923a35c2-1
0.579
PET-UNK-0d6841fa-7
0.579
PET-UNK-6da3dcd8-5
0.575
PET-UNK-03fd2068-9
0.574
PET-UNK-9bf1291a-3
0.573
EDJ-MED-b1cef252-1
0.571
MAT-POS-83a7b0a0-1
0.571
MAT-POS-89bd6af1-4
0.571
PET-UNK-ad758083-4
0.564
PET-UNK-9bf1291a-5
0.561
PET-UNK-1b92fa34-5
0.558
PET-UNK-f4e47ebd-26
0.555
PET-UNK-b38839dc-22
0.555
PET-UNK-b38839dc-23
0.555
PET-UNK-bcc8fd08-6
0.554
PET-UNK-757f8bc8-11
0.544
PET-UNK-6da3dcd8-4
0.537
PET-UNK-f4e47ebd-27
0.536
PET-UNK-757f8bc8-8
0.536
MAT-POS-89bd6af1-1
0.535
ALP-POS-c56c1477-4
0.535
PET-UNK-9b23ef84-8
0.531
PET-UNK-9b23ef84-12
0.531
PET-UNK-9b23ef84-4
0.531
MAT-POS-64942dd0-4
0.528
PET-UNK-c65ea24c-3
0.528
PET-UNK-5d7c542f-4
0.527
PET-UNK-757f8bc8-6
0.526
PET-UNK-5d7c542f-3
0.526
EDJ-MED-82bd779b-1
0.526
PET-UNK-3bb57da2-1
0.523
PET-UNK-0cc03aae-3
0.522
PET-UNK-6da3dcd8-10
0.522
PET-UNK-757f8bc8-5
0.518
MAT-UNK-28cf4d29-1
0.514
MAT-POS-89bd6af1-3
0.514
ALP-POS-e266d783-2
0.514
PET-UNK-c65ea24c-6
0.514
PET-UNK-3bb57da2-3
0.514
PET-UNK-6da3dcd8-3
0.514
PET-UNK-ad758083-5
0.513
PET-UNK-022eab87-2
0.505
EDG-MED-4c68219f-10
0.505
PET-UNK-c65ea24c-2
0.505
PET-UNK-b38839dc-21
0.505
PET-UNK-ad758083-3
0.504
PET-UNK-757f8bc8-12
0.504
PET-UNK-5d7c542f-5
0.500
PET-UNK-0cc03aae-4
0.500
PET-UNK-824b5c6a-2
0.500
PET-UNK-b566c0b0-8
0.500
PET-UNK-6da3dcd8-9
0.500
PET-UNK-757f8bc8-10
0.496
ED_-GRI-5b13fbe2-48
0.496
PET-UNK-c761fc18-6
0.495
PET-UNK-c65ea24c-5
0.495
PET-UNK-c0891748-3
0.495
PET-UNK-c0891748-9
0.495