Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(=O)(=O)N(C)C)Cc2ccc(Cl)cc21 |
MW: | 474.11 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b566c0b0-9
PET-UNK-b566c0b0-7
PET-UNK-b566c0b0-6
PET-UNK-b566c0b0-5
PET-UNK-b566c0b0-4
PET-UNK-b566c0b0-3
PET-UNK-b566c0b0-2
PET-UNK-b566c0b0-1
PET-UNK-b566c0b0-8
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-14
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-3
PET-UNK-b38839dc-30
PET-UNK-b38839dc-29
PET-UNK-b38839dc-28
PET-UNK-b38839dc-27
PET-UNK-b38839dc-26
PET-UNK-b38839dc-24
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-20
PET-UNK-b38839dc-16
PET-UNK-b38839dc-13
PET-UNK-b38839dc-11
PET-UNK-b38839dc-10
PET-UNK-b38839dc-9
PET-UNK-b38839dc-8
PET-UNK-b38839dc-7
PET-UNK-b38839dc-4
PET-UNK-b38839dc-18
PET-UNK-b38839dc-25
PET-UNK-b38839dc-19
PET-UNK-b38839dc-15
PET-UNK-b38839dc-5
PET-UNK-b38839dc-2
PET-UNK-b38839dc-1
PET-UNK-b38839dc-12
PET-UNK-b38839dc-23
PET-UNK-b38839dc-17
PET-UNK-b38839dc-14
PET-UNK-b38839dc-6
PET-UNK-b38839dc-3
PET-UNK-ad758083-5
PET-UNK-ad758083-4
PET-UNK-ad758083-3
PET-UNK-ad758083-2
PET-UNK-ad758083-1
PET-UNK-0d6841fa-7
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-5
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-3
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-1
PET-UNK-88d26eaf-1
1.000
PET-UNK-b566c0b0-8
0.806
PET-UNK-9bf1291a-1
0.800
ALP-POS-5290f14d-1
0.800
MIC-UNK-ea4eb352-2
0.800
PET-UNK-ad758083-2
0.792
PET-UNK-c65ea24c-7
0.773
PET-UNK-757f8bc8-4
0.771
PET-UNK-b566c0b0-9
0.763
PET-UNK-0d6841fa-2
0.758
PET-UNK-b38839dc-25
0.745
PET-UNK-757f8bc8-3
0.742
PET-UNK-b38839dc-26
0.720
PET-UNK-6da3dcd8-5
0.716
PET-UNK-757f8bc8-2
0.713
PET-UNK-757f8bc8-1
0.706
PET-UNK-6da3dcd8-8
0.699
EDJ-MED-b1cef252-2
0.699
MAT-POS-83a7b0a0-2
0.699
MAT-POS-89bd6af1-2
0.699
PET-UNK-c65ea24c-9
0.694
PET-UNK-c65ea24c-12
0.694
PET-UNK-9bf1291a-3
0.691
PET-UNK-6da3dcd8-3
0.684
PET-UNK-6da3dcd8-4
0.680
PET-UNK-b38839dc-24
0.680
PET-UNK-9bf1291a-5
0.673
PET-UNK-c65ea24c-8
0.673
EDJ-MED-b1cef252-1
0.670
MAT-POS-89bd6af1-4
0.670
MAT-POS-83a7b0a0-1
0.670
PET-UNK-ad758083-1
0.663
PET-UNK-c65ea24c-11
0.663
EDJ-MED-e9a22d5d-2
0.660
PET-UNK-c65ea24c-10
0.657
EDJ-MED-923a35c2-5
0.640
EDJ-MED-841e0cf0-3
0.640
EDJ-MED-670ad2ee-3
0.640
PET-UNK-bcc8fd08-4
0.637
PET-UNK-9b23ef84-4
0.635
PET-UNK-0d6841fa-1
0.625
MIC-UNK-ea4eb352-10
0.621
EDJ-MED-841e0cf0-2
0.621
EDJ-MED-670ad2ee-2
0.621
EDJ-MED-670ad2ee-1
0.620
EDJ-MED-841e0cf0-1
0.620
MIC-UNK-ea4eb352-6
0.620
PET-UNK-9b23ef84-8
0.619
PET-UNK-9b23ef84-12
0.619
PET-UNK-c65ea24c-1
0.615
PET-UNK-f4e47ebd-24
0.614
PET-UNK-f4e47ebd-25
0.614
FRA-DIA-6238d354-1
0.612
EDJ-MED-923a35c2-1
0.612
PET-UNK-03fd2068-9
0.606
PET-UNK-b38839dc-22
0.600
PET-UNK-1b92fa34-5
0.590
MAR-UCB-6ab2ec87-3
0.582
PET-UNK-b566c0b0-7
0.579
PET-UNK-6da3dcd8-1
0.573
PET-UNK-757f8bc8-11
0.573
PET-UNK-f4e47ebd-26
0.570
PET-UNK-757f8bc8-7
0.570
PET-UNK-b38839dc-23
0.570
PET-UNK-f4e47ebd-27
0.566
PET-UNK-6da3dcd8-2
0.564
PET-UNK-1abb40f2-4
0.563
PET-UNK-1abb40f2-2
0.563
PET-UNK-757f8bc8-12
0.560
PET-UNK-c65ea24c-6
0.558
PET-UNK-6da3dcd8-15
0.557
PET-UNK-4d432d33-7
0.556
PET-UNK-4d432d33-3
0.556
PET-UNK-c0891748-3
0.553
PET-UNK-c0891748-9
0.553
PET-UNK-9b23ef84-1
0.552
PET-UNK-757f8bc8-8
0.551
PET-UNK-022eab87-2
0.550
EDJ-MED-d08626de-1
0.549
EDG-MED-0e5afe9d-3
0.549
EDJ-MED-d08626de-2
0.549
PET-UNK-29afea89-2
0.549
PET-UNK-9bf1291a-2
0.548
PET-UNK-9bf1291a-4
0.546
PET-UNK-5ad1c31a-10
0.545
PET-UNK-5ad1c31a-4
0.545
MAT-POS-c7771779-2
0.544
MAT-POS-89e65850-1
0.544
BEN-DND-a02b439d-12
0.544
MIC-UNK-6e9f8a43-1
0.543
JOH-UNI-e398da21-2
0.543
PET-UNK-c65ea24c-3
0.543
PET-UNK-4d432d33-8
0.541
PET-UNK-4d432d33-4
0.541
EDJ-MED-82bd779b-1
0.541
PET-UNK-c0891748-5
0.538
PET-UNK-c0891748-11
0.538
PET-UNK-6da3dcd8-18
0.538
PET-UNK-c65ea24c-13
0.537
EDJ-MED-015fb6b4-1
0.536