Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 463.08 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-3
1.000
EDJ-MED-923a35c2-5
1.000
PET-UNK-b566c0b0-8
0.804
EDJ-MED-923a35c2-1
0.802
FRA-DIA-6238d354-1
0.802
PET-UNK-9bf1291a-1
0.798
MIC-UNK-ea4eb352-2
0.798
ALP-POS-5290f14d-1
0.798
PET-UNK-bcc8fd08-5
0.785
PET-UNK-03fd2068-10
0.774
PET-UNK-03fd2068-9
0.774
PET-UNK-f4e47ebd-25
0.750
PET-UNK-b38839dc-22
0.747
PET-UNK-9bf1291a-2
0.728
PET-UNK-f4e47ebd-24
0.713
PET-UNK-f4e47ebd-26
0.711
PET-UNK-c65ea24c-1
0.711
PET-UNK-b38839dc-23
0.711
PET-UNK-9bf1291a-4
0.701
PET-UNK-f4e47ebd-27
0.691
PET-UNK-c65ea24c-3
0.684
PET-UNK-c65ea24c-6
0.667
PET-UNK-b38839dc-21
0.653
PET-UNK-c65ea24c-2
0.653
PET-UNK-c761fc18-6
0.643
PET-UNK-c65ea24c-5
0.643
PET-UNK-88d26eaf-1
0.640
EDJ-MED-cf877e1d-2
0.640
EDJ-MED-670ad2ee-2
0.634
PET-UNK-bcc8fd08-4
0.634
MIC-UNK-ea4eb352-10
0.634
EDJ-MED-841e0cf0-2
0.634
EDJ-MED-923a35c2-2
0.631
PET-UNK-c65ea24c-4
0.630
PET-UNK-c761fc18-2
0.630
PET-UNK-ad758083-1
0.627
PET-UNK-b566c0b0-9
0.625
PET-UNK-757f8bc8-3
0.621
PET-UNK-757f8bc8-4
0.615
PET-UNK-1b92fa34-6
0.612
PET-UNK-b38839dc-25
0.610
PET-UNK-bcc8fd08-6
0.610
PET-UNK-0d6841fa-1
0.606
MAT-POS-89bd6af1-2
0.602
PET-UNK-6da3dcd8-5
0.602
EDJ-MED-b1cef252-2
0.602
MAT-POS-83a7b0a0-2
0.602
PET-UNK-6da3dcd8-8
0.602
EDJ-MED-670ad2ee-1
0.600
EDJ-MED-841e0cf0-1
0.600
MIC-UNK-ea4eb352-6
0.600
PET-UNK-757f8bc8-2
0.598
EDJ-MED-923a35c2-4
0.594
PET-UNK-757f8bc8-1
0.593
PET-UNK-03fd2068-11
0.590
PET-UNK-6da3dcd8-18
0.589
PET-UNK-f4e47ebd-29
0.587
PET-UNK-6da3dcd8-15
0.580
PET-UNK-c65ea24c-7
0.574
PET-UNK-b38839dc-26
0.574
PET-UNK-b78139fa-16
0.571
PET-UNK-9bf1291a-3
0.570
EDJ-MED-841e0cf0-8
0.559
EDJ-MED-670ad2ee-12
0.559
EDJ-MED-670ad2ee-11
0.559
PET-UNK-9bf1291a-5
0.558
PET-UNK-f4e47ebd-28
0.557
MAT-POS-a5ef2d74-2
0.554
MAT-POS-ec6d90b7-4
0.554
EDJ-MED-611d11e7-4
0.554
MAT-POS-89bd6af1-4
0.553
EDJ-MED-b1cef252-1
0.553
MAT-POS-83a7b0a0-1
0.553
PET-UNK-f4e47ebd-30
0.550
PET-UNK-03fd2068-3
0.549
PET-UNK-c65ea24c-9
0.547
PET-UNK-c65ea24c-12
0.547
PET-UNK-6da3dcd8-2
0.545
EDJ-MED-841e0cf0-4
0.544
EDJ-MED-670ad2ee-4
0.544
EDJ-MED-e9a22d5d-2
0.536
PET-UNK-1b92fa34-8
0.533
PET-UNK-f4e47ebd-31
0.532
PET-UNK-c65ea24c-8
0.532
PET-UNK-ad758083-2
0.532
PET-UNK-4b4f2bb7-6
0.529
PET-UNK-6da3dcd8-1
0.524
PET-UNK-6da3dcd8-12
0.524
PET-UNK-c65ea24c-11
0.523
PET-UNK-b38839dc-24
0.523
PET-UNK-c65ea24c-13
0.519
PET-UNK-6da3dcd8-11
0.514
PET-UNK-9b23ef84-8
0.514
PET-UNK-9b23ef84-4
0.514
PET-UNK-9b23ef84-12
0.514
MIC-UNK-6e9f8a43-1
0.509
JOH-UNI-e398da21-2
0.509
PET-UNK-b566c0b0-2
0.509
PET-UNK-329a9ce9-5
0.509
PET-UNK-0d6841fa-2
0.509