Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(C)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 431.07 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-15
PET-UNK-6e612674-13
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-9
PET-UNK-6e612674-8
PET-UNK-6e612674-7
PET-UNK-6e612674-5
PET-UNK-6e612674-4
PET-UNK-6e612674-3
PET-UNK-6e612674-2
PET-UNK-6e612674-1
PET-UNK-6e612674-6
PET-UNK-6e612674-16
PET-UNK-6e612674-14
PET-UNK-6e612674-10
PET-UNK-5ad1c31a-11
PET-UNK-5ad1c31a-10
PET-UNK-5ad1c31a-9
PET-UNK-5ad1c31a-7
PET-UNK-5ad1c31a-6
PET-UNK-5ad1c31a-5
PET-UNK-5ad1c31a-4
PET-UNK-5ad1c31a-1
PET-UNK-5ad1c31a-2
PET-UNK-5ad1c31a-12
PET-UNK-5ad1c31a-8
PET-UNK-5ad1c31a-3
PET-UNK-1abb40f2-4
1.000
PET-UNK-6e612674-6
0.770
PET-UNK-6e612674-14
0.770
PET-UNK-6e612674-5
0.739
PET-UNK-6e612674-13
0.739
MIC-UNK-54748b58-2
0.726
PET-UNK-5ad1c31a-4
0.719
PET-UNK-5ad1c31a-9
0.719
PET-UNK-5ad1c31a-10
0.719
PET-UNK-5ad1c31a-3
0.719
MAT-POS-83f73d0a-3
0.708
PET-UNK-6e612674-7
0.705
PET-UNK-6e612674-15
0.705
PET-UNK-6e612674-8
0.701
PET-UNK-6e612674-16
0.701
PET-UNK-022eab87-2
0.685
PET-UNK-1abb40f2-1
0.656
PET-UNK-1abb40f2-3
0.656
EDJ-MED-211392e3-1
0.649
MIC-UNK-ea4eb352-1
0.649
LUO-POS-e3baa4d7-1
0.624
MAT-POS-c88128cb-3
0.624
PET-UNK-c0891748-3
0.615
PET-UNK-c0891748-9
0.615
PET-UNK-9bf1291a-3
0.604
MAT-POS-c88128cb-6
0.592
PET-UNK-f360ae44-1
0.589
PET-UNK-f360ae44-9
0.589
EDJ-MED-b1cef252-1
0.586
MAT-POS-83a7b0a0-1
0.586
PET-UNK-9bf1291a-1
0.586
MAT-POS-89bd6af1-4
0.586
MAT-POS-83f73d0a-4
0.586
ALP-POS-5290f14d-1
0.586
MIC-UNK-ea4eb352-2
0.586
PET-UNK-4d432d33-3
0.583
PET-UNK-4d432d33-7
0.583
PET-UNK-4d432d33-8
0.583
PET-UNK-4d432d33-4
0.583
MAT-POS-f9802937-1
0.582
MAR-UCB-6ab2ec87-3
0.579
EDJ-MED-d08626de-2
0.577
EDJ-MED-d08626de-1
0.577
PET-UNK-29afea89-2
0.577
EDG-MED-0e5afe9d-3
0.577
EDJ-MED-015fb6b4-1
0.577
PET-UNK-9bf1291a-5
0.574
MAT-POS-89e65850-1
0.571
PET-UNK-9b23ef84-4
0.571
PET-UNK-1b92fa34-5
0.571
MAT-POS-c7771779-2
0.571
BEN-DND-a02b439d-12
0.571
MIK-ENA-f5fe7855-1
0.569
LUO-POS-868e8996-2
0.569
MAT-POS-e119ab4f-5
0.569
MIK-ENA-e76e31f3-1
0.569
MIK-ENA-d22671f7-1
0.569
LUO-POS-868e8996-1
0.569
PET-UNK-ad758083-5
0.567
PET-UNK-c0891748-5
0.566
PET-UNK-c0891748-11
0.566
PET-UNK-88d26eaf-1
0.563
EDJ-MED-cf877e1d-2
0.563
MAT-POS-c88128cb-4
0.563
MIC-UNK-ea4eb352-5
0.561
PET-UNK-f360ae44-8
0.560
PET-UNK-f360ae44-14
0.560
PET-UNK-f360ae44-16
0.560
PET-UNK-f360ae44-6
0.560
LUO-POS-66f38ea0-1
0.558
MAT-POS-c88128cb-5
0.558
PET-UNK-5ad1c31a-5
0.558
PET-UNK-5ad1c31a-6
0.558
PET-UNK-5ad1c31a-11
0.558
PET-UNK-5ad1c31a-12
0.558
EDJ-MED-70ab3faf-1
0.557
MAT-POS-c88128cb-8
0.557
PET-UNK-9b23ef84-8
0.557
PET-UNK-9b23ef84-12
0.557
LUO-POS-3b937086-1
0.557
MIC-UNK-ea4eb352-3
0.556
MAT-POS-d8472c4f-3
0.556
MAT-POS-89e65850-2
0.556
PET-UNK-f360ae44-3
0.555
PET-UNK-f360ae44-5
0.555
PET-UNK-f360ae44-11
0.555
PET-UNK-f360ae44-13
0.555
MIC-UNK-ea4eb352-4
0.551
ALP-POS-f1807566-3
0.550
PET-UNK-f360ae44-2
0.550
PET-UNK-f360ae44-10
0.550
PET-UNK-757f8bc8-3
0.547
MAT-POS-c88128cb-7
0.546
MAT-POS-89bd6af1-2
0.545
EDJ-MED-b1cef252-2
0.545
PET-UNK-6da3dcd8-8
0.545
MAT-POS-83a7b0a0-2
0.545
PET-UNK-f360ae44-7
0.545
PET-UNK-f360ae44-15
0.545
PET-UNK-757f8bc8-4
0.542