Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 445.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-6e9f8a43-1
MIC-UNK-6e9f8a43-2
PET-UNK-f4e47ebd-30
PET-UNK-f4e47ebd-27
PET-UNK-f4e47ebd-26
PET-UNK-f4e47ebd-21
PET-UNK-f4e47ebd-19
PET-UNK-f4e47ebd-18
PET-UNK-f4e47ebd-14
PET-UNK-f4e47ebd-13
PET-UNK-f4e47ebd-8
PET-UNK-f4e47ebd-7
PET-UNK-f4e47ebd-31
PET-UNK-f4e47ebd-29
PET-UNK-f4e47ebd-28
PET-UNK-f4e47ebd-25
PET-UNK-f4e47ebd-24
PET-UNK-f4e47ebd-23
PET-UNK-f4e47ebd-22
PET-UNK-f4e47ebd-20
PET-UNK-f4e47ebd-12
PET-UNK-f4e47ebd-11
PET-UNK-f4e47ebd-10
PET-UNK-f4e47ebd-6
PET-UNK-f4e47ebd-2
PET-UNK-f4e47ebd-17
PET-UNK-f4e47ebd-16
PET-UNK-f4e47ebd-3
PET-UNK-f4e47ebd-1
PET-UNK-f4e47ebd-5
PET-UNK-f4e47ebd-15
PET-UNK-f4e47ebd-9
PET-UNK-f4e47ebd-4
PET-UNK-bcc8fd08-3
PET-UNK-bcc8fd08-2
PET-UNK-bcc8fd08-1
PET-UNK-bcc8fd08-5
PET-UNK-bcc8fd08-4
PET-UNK-bcc8fd08-6
PET-UNK-c761fc18-7
PET-UNK-c761fc18-5
PET-UNK-c761fc18-4
PET-UNK-c761fc18-3
PET-UNK-c761fc18-2
PET-UNK-c761fc18-1
PET-UNK-c761fc18-8
PET-UNK-c761fc18-6
PET-UNK-88d26eaf-1
PET-UNK-b38839dc-30
PET-UNK-b38839dc-28
PET-UNK-b38839dc-26
PET-UNK-b38839dc-24
PET-UNK-b38839dc-23
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-20
PET-UNK-b38839dc-17
PET-UNK-b38839dc-16
PET-UNK-b38839dc-15
PET-UNK-b38839dc-13
PET-UNK-b38839dc-12
PET-UNK-b38839dc-10
PET-UNK-b38839dc-8
PET-UNK-b38839dc-6
PET-UNK-b38839dc-5
PET-UNK-b38839dc-4
PET-UNK-b38839dc-3
PET-UNK-b38839dc-1
PET-UNK-b38839dc-18
PET-UNK-b38839dc-27
PET-UNK-b38839dc-19
PET-UNK-b38839dc-11
PET-UNK-b38839dc-7
PET-UNK-b38839dc-2
PET-UNK-b38839dc-29
PET-UNK-b38839dc-14
PET-UNK-b38839dc-9
PET-UNK-b38839dc-25
PET-UNK-ad758083-5
PET-UNK-ad758083-2
PET-UNK-ad758083-1
PET-UNK-ad758083-4
PET-UNK-ad758083-3
PET-UNK-0d6841fa-7
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-3
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-1
PET-UNK-0d6841fa-5
MIC-UNK-ea4eb352-2
1.000
PET-UNK-9bf1291a-1
1.000
EDJ-MED-cf877e1d-2
0.800
PET-UNK-88d26eaf-1
0.800
EDJ-MED-670ad2ee-3
0.798
EDJ-MED-923a35c2-5
0.798
EDJ-MED-841e0cf0-3
0.798
PET-UNK-ad758083-1
0.783
PET-UNK-757f8bc8-3
0.774
PET-UNK-bcc8fd08-4
0.772
PET-UNK-f4e47ebd-24
0.767
PET-UNK-f4e47ebd-25
0.767
PET-UNK-757f8bc8-4
0.766
PET-UNK-c65ea24c-1
0.763
FRA-DIA-6238d354-1
0.761
EDJ-MED-923a35c2-1
0.761
MIC-UNK-ea4eb352-6
0.756
EDJ-MED-841e0cf0-1
0.756
EDJ-MED-670ad2ee-1
0.756
PET-UNK-0d6841fa-1
0.755
PET-UNK-03fd2068-9
0.753
EDJ-MED-670ad2ee-2
0.753
MIC-UNK-ea4eb352-10
0.753
EDJ-MED-841e0cf0-2
0.753
MAT-POS-89bd6af1-2
0.745
EDJ-MED-b1cef252-2
0.745
PET-UNK-6da3dcd8-8
0.745
MAT-POS-83a7b0a0-2
0.745
PET-UNK-757f8bc8-2
0.742
PET-UNK-757f8bc8-1
0.735
PET-UNK-6da3dcd8-5
0.727
PET-UNK-b38839dc-22
0.726
PET-UNK-9bf1291a-3
0.722
PET-UNK-f4e47ebd-26
0.708
PET-UNK-b38839dc-23
0.708
PET-UNK-f4e47ebd-27
0.705
PET-UNK-9bf1291a-5
0.702
EDJ-MED-b1cef252-1
0.699
MAT-POS-83a7b0a0-1
0.699
MAT-POS-89bd6af1-4
0.699
PET-UNK-c65ea24c-3
0.681
PET-UNK-c65ea24c-6
0.681
PET-UNK-6da3dcd8-2
0.674
EDJ-MED-e9a22d5d-2
0.670
PET-UNK-c65ea24c-2
0.667
PET-UNK-b38839dc-21
0.667
PET-UNK-ad758083-2
0.663
PET-UNK-6da3dcd8-1
0.663
PET-UNK-c761fc18-6
0.656
PET-UNK-c65ea24c-5
0.656
MIC-UNK-6e9f8a43-1
0.646
JOH-UNI-e398da21-2
0.646
PET-UNK-9b23ef84-4
0.644
PET-UNK-9b23ef84-8
0.644
PET-UNK-9b23ef84-12
0.644
PET-UNK-c761fc18-2
0.643
PET-UNK-c65ea24c-4
0.643
PET-UNK-b566c0b0-8
0.640
PET-UNK-0d6841fa-2
0.635
PET-UNK-bcc8fd08-5
0.624
PET-UNK-c65ea24c-7
0.615
PET-UNK-1b92fa34-5
0.615
PET-UNK-03fd2068-10
0.614
PET-UNK-757f8bc8-7
0.608
PET-UNK-b566c0b0-9
0.606
PET-UNK-bcc8fd08-6
0.590
PET-UNK-b38839dc-25
0.590
PET-UNK-1abb40f2-2
0.586
PET-UNK-1abb40f2-4
0.586
PET-UNK-757f8bc8-11
0.579
PET-UNK-4d432d33-3
0.577
PET-UNK-4d432d33-7
0.577
EDJ-MED-82bd779b-1
0.575
PET-UNK-9b23ef84-1
0.574
PET-UNK-6da3dcd8-4
0.574
MAR-UCB-6ab2ec87-3
0.573
PET-UNK-022eab87-2
0.573
PET-UNK-03fd2068-11
0.571
PET-UNK-6da3dcd8-18
0.571
PET-UNK-b38839dc-26
0.570
PET-UNK-9bf1291a-2
0.570
PET-UNK-f4e47ebd-28
0.567
PET-UNK-f4e47ebd-29
0.567
PET-UNK-9bf1291a-4
0.567
EDJ-MED-923a35c2-2
0.566
PET-UNK-5ad1c31a-4
0.566
PET-UNK-5ad1c31a-10
0.566
BEN-DND-a02b439d-12
0.566
MAT-POS-64942dd0-4
0.564
PET-UNK-6da3dcd8-3
0.563
PET-UNK-6da3dcd8-15
0.562
PET-UNK-4d432d33-4
0.562
PET-UNK-4d432d33-8
0.562
PET-UNK-757f8bc8-6
0.561
PET-UNK-c0891748-3
0.560
PET-UNK-c0891748-9
0.560
PET-UNK-757f8bc8-8
0.558
PET-UNK-c65ea24c-12
0.558
PET-UNK-c65ea24c-13
0.558
PET-UNK-29afea89-2
0.556