Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 417.06 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 97.39 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-16
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-7
PET-UNK-6e612674-6
PET-UNK-6e612674-3
PET-UNK-6e612674-2
PET-UNK-6e612674-1
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-10
PET-UNK-6e612674-9
PET-UNK-6e612674-8
PET-UNK-6e612674-5
PET-UNK-6e612674-4
PET-UNK-5ad1c31a-12
PET-UNK-5ad1c31a-10
PET-UNK-5ad1c31a-8
PET-UNK-5ad1c31a-7
PET-UNK-5ad1c31a-6
PET-UNK-5ad1c31a-5
PET-UNK-5ad1c31a-4
PET-UNK-5ad1c31a-3
PET-UNK-5ad1c31a-2
PET-UNK-5ad1c31a-1
PET-UNK-5ad1c31a-11
PET-UNK-5ad1c31a-9
PET-UNK-1abb40f2-3
1.000
PET-UNK-6e612674-2
0.786
PET-UNK-6e612674-10
0.786
PET-UNK-6e612674-1
0.753
PET-UNK-6e612674-9
0.753
PET-UNK-022eab87-2
0.721
PET-UNK-6e612674-3
0.717
PET-UNK-6e612674-11
0.717
PET-UNK-6e612674-12
0.702
PET-UNK-6e612674-4
0.702
MAT-POS-806462de-2
0.685
MAT-POS-806462de-1
0.685
ALP-POS-1cbc2fae-1
0.685
MIC-UNK-ea4eb352-1
0.663
EDJ-MED-211392e3-1
0.663
PET-UNK-1abb40f2-2
0.656
PET-UNK-1abb40f2-4
0.656
ALP-POS-1cbc2fae-2
0.652
PET-UNK-c0891748-9
0.611
PET-UNK-c0891748-3
0.611
ALP-POS-f1807566-3
0.611
MIC-UNK-54748b58-2
0.604
PET-UNK-5ad1c31a-3
0.598
PET-UNK-5ad1c31a-4
0.598
PET-UNK-5ad1c31a-10
0.598
PET-UNK-5ad1c31a-9
0.598
PET-UNK-1b92fa34-5
0.583
PET-UNK-ad758083-5
0.578
MAR-UCB-6ab2ec87-3
0.574
EDG-MED-0e5afe9d-3
0.573
EDJ-MED-d08626de-1
0.573
PET-UNK-29afea89-2
0.573
EDJ-MED-d08626de-2
0.573
MIC-UNK-ea4eb352-3
0.567
MAT-POS-89e65850-1
0.567
MAT-POS-c7771779-2
0.567
MAT-POS-d8472c4f-3
0.567
MAT-POS-83f73d0a-3
0.562
MIC-UNK-ea4eb352-4
0.562
MIC-UNK-ea4eb352-5
0.557
PET-UNK-b78139fa-16
0.552
EDJ-MED-70ab3faf-1
0.552
MAT-POS-89e65850-2
0.551
PET-UNK-9bf1291a-3
0.551
PET-UNK-0d6841fa-5
0.547
PET-UNK-c0891748-5
0.545
PET-UNK-c0891748-11
0.545
MAT-POS-c88128cb-12
0.545
MAT-POS-f9802937-1
0.545
MIC-UNK-ea4eb352-9
0.545
BEN-DND-a02b439d-13
0.541
PET-UNK-81b485b5-1
0.540
PET-UNK-81b485b5-15
0.540
PET-UNK-b78139fa-14
0.535
MAT-POS-89bd6af1-4
0.535
MIC-UNK-ea4eb352-2
0.535
PET-UNK-9bf1291a-1
0.535
EDJ-MED-b1cef252-1
0.535
MAT-POS-83a7b0a0-1
0.535
ALP-POS-5290f14d-1
0.535
LUO-POS-433ce175-1
0.531
PET-UNK-b78139fa-15
0.531
MAT-POS-c88128cb-3
0.528
LUO-POS-e3baa4d7-1
0.528
ALP-POS-1460fd94-3
0.526
PET-UNK-b78139fa-18
0.526
PET-UNK-c0891748-1
0.525
PET-UNK-c0891748-7
0.525
EDJ-MED-37aac4bd-5
0.525
ALP-POS-fe871b40-7
0.525
PET-UNK-9bf1291a-5
0.524
EDJ-MED-2f867453-1
0.521
PET-UNK-b78139fa-17
0.520
ALP-POS-fe871b40-8
0.520
MAT-POS-83f73d0a-4
0.520
PET-UNK-407a74a5-6
0.515
MIC-UNK-e8d6fb58-1
0.515
PET-UNK-407a74a5-1
0.515
PET-UNK-1b92fa34-7
0.515
MAT-POS-c88128cb-4
0.514
PET-UNK-0d6841fa-7
0.514
EDJ-MED-cf877e1d-2
0.514
PET-UNK-88d26eaf-1
0.514
VLA-UNK-a5257d84-1
0.510
MAT-POS-c88128cb-13
0.510
MIC-UNK-ea4eb352-11
0.510
NIR-THE-3fc2bec4-1
0.510
ALP-POS-fe871b40-12
0.510
PET-UNK-4b4f2bb7-6
0.510
PET-UNK-ad758083-3
0.509
MAT-POS-fb82b63d-2
0.505
PET-UNK-407a74a5-7
0.505
PET-UNK-6e612674-6
0.505
MIC-UNK-ea4eb352-12
0.505
PET-UNK-6e612674-14
0.505
MIK-ENA-e76e31f3-1
0.505
LUO-POS-868e8996-1
0.505
MIK-ENA-d22671f7-1
0.505
LUO-POS-868e8996-2
0.505
MIK-ENA-f5fe7855-1
0.505