Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 402.04 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-17
PET-UNK-b78139fa-14
PET-UNK-b78139fa-13
PET-UNK-b78139fa-11
PET-UNK-b78139fa-9
PET-UNK-b78139fa-4
PET-UNK-b78139fa-1
PET-UNK-b78139fa-18
PET-UNK-b78139fa-16
PET-UNK-b78139fa-15
PET-UNK-b78139fa-12
PET-UNK-b78139fa-8
PET-UNK-b78139fa-7
PET-UNK-b78139fa-6
PET-UNK-b78139fa-10
PET-UNK-b78139fa-5
PET-UNK-b78139fa-3
PET-UNK-b78139fa-2
EDJ-MED-211392e3-1
0.774
MIC-UNK-ea4eb352-1
0.774
PET-UNK-b78139fa-16
0.768
PET-UNK-b78139fa-18
0.735
PET-UNK-b78139fa-17
0.726
PET-UNK-1abb40f2-3
0.721
PET-UNK-b78139fa-14
0.721
PET-UNK-1abb40f2-1
0.721
PET-UNK-b78139fa-15
0.718
PET-UNK-c0891748-3
0.693
PET-UNK-c0891748-9
0.693
PET-UNK-1abb40f2-2
0.685
PET-UNK-1abb40f2-4
0.685
PET-UNK-b78139fa-11
0.674
PET-UNK-b78139fa-12
0.663
PET-UNK-1b92fa34-5
0.663
PET-UNK-ad758083-5
0.653
PET-UNK-5ad1c31a-3
0.639
PET-UNK-5ad1c31a-9
0.639
EDJ-MED-70ab3faf-1
0.629
MIC-UNK-54748b58-2
0.629
PET-UNK-5ad1c31a-4
0.622
PET-UNK-5ad1c31a-10
0.622
MAR-UCB-6ab2ec87-3
0.618
PET-UNK-0d6841fa-5
0.616
PET-UNK-29afea89-2
0.615
EDJ-MED-d08626de-2
0.615
EDG-MED-0e5afe9d-3
0.615
EDJ-MED-d08626de-1
0.615
MIC-UNK-ea4eb352-5
0.615
PET-UNK-b78139fa-13
0.611
MIC-UNK-ea4eb352-9
0.600
PET-UNK-b78139fa-10
0.598
PET-UNK-4b4f2bb7-6
0.596
MIC-UNK-ea4eb352-4
0.587
PET-UNK-407a74a5-6
0.587
ALP-POS-f1807566-3
0.585
PET-UNK-407a74a5-1
0.585
PET-UNK-c0891748-5
0.585
PET-UNK-c0891748-11
0.585
PET-UNK-1b92fa34-7
0.583
PET-UNK-9bf1291a-3
0.574
MAT-POS-c7771779-2
0.574
MIC-UNK-ea4eb352-3
0.574
MAT-POS-d8472c4f-3
0.574
MAT-POS-89e65850-2
0.574
MAT-POS-89e65850-1
0.574
PET-UNK-9bf1291a-1
0.573
ALP-POS-5290f14d-1
0.573
MIC-UNK-ea4eb352-2
0.573
PET-UNK-7bb24635-1
0.571
MAT-POS-806462de-1
0.570
MAT-POS-806462de-2
0.570
ALP-POS-1cbc2fae-1
0.570
MAT-POS-83f73d0a-3
0.570
PET-UNK-4b4f2bb7-9
0.568
MAT-POS-f9802937-1
0.568
PET-UNK-4b4f2bb7-5
0.567
ALP-POS-6f6ae286-2
0.567
PET-UNK-ab76d8f6-1
0.566
PET-UNK-4b4f2bb7-8
0.562
PET-UNK-81b485b5-1
0.562
PET-UNK-81b485b5-15
0.562
PET-UNK-757f8bc8-4
0.559
PET-UNK-4b4f2bb7-7
0.557
EDJ-MED-b1cef252-1
0.557
MAT-POS-83a7b0a0-1
0.557
MAT-POS-89bd6af1-4
0.557
PET-UNK-4d432d33-3
0.554
PET-UNK-4d432d33-7
0.554
PET-UNK-6e612674-2
0.553
PET-UNK-6e612674-10
0.553
PET-UNK-88d26eaf-1
0.550
PET-UNK-0d6841fa-7
0.550
EDJ-MED-cf877e1d-2
0.550
PET-UNK-757f8bc8-3
0.549
LUO-POS-e3baa4d7-1
0.549
MAT-POS-c88128cb-3
0.549
PET-UNK-c0891748-7
0.547
ALP-POS-fe871b40-7
0.547
EDJ-MED-37aac4bd-5
0.547
PET-UNK-c0891748-1
0.547
PET-UNK-9bf1291a-5
0.545
ALP-POS-1cbc2fae-2
0.542
MAT-POS-83f73d0a-4
0.541
PET-UNK-7bb24635-3
0.540
PET-UNK-4d432d33-8
0.539
PET-UNK-4d432d33-4
0.539
LUO-POS-433ce175-1
0.538
PET-UNK-6e612674-1
0.535
PET-UNK-6e612674-9
0.535
EDJ-MED-211392e3-2
0.535
EDJ-MED-b1cef252-2
0.533
PET-UNK-6da3dcd8-8
0.533
MAT-POS-83a7b0a0-2
0.533
MAT-POS-89bd6af1-2
0.533
VLA-UNK-a5257d84-1
0.531
PET-UNK-7bb24635-2
0.529
PET-UNK-5ad1c31a-11
0.529
LUO-POS-66f38ea0-1
0.529