Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 510.04 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 143.56 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
PET-UNK-6e612674-4
1.000
PET-UNK-6e612674-2
0.795
PET-UNK-6e612674-10
0.795
PET-UNK-6e612674-3
0.785
PET-UNK-6e612674-11
0.785
PET-UNK-6e612674-1
0.726
PET-UNK-6e612674-9
0.726
PET-UNK-1abb40f2-3
0.702
PET-UNK-1abb40f2-1
0.702
PET-UNK-6e612674-16
0.693
PET-UNK-6e612674-8
0.693
EDG-MED-10fcb19e-2
0.615
MAT-POS-c88128cb-14
0.547
EDJ-MED-211392e3-2
0.532
PET-UNK-6e612674-15
0.527
PET-UNK-6e612674-7
0.527
PET-UNK-6e612674-14
0.524
PET-UNK-b78139fa-14
0.524
PET-UNK-6e612674-6
0.524
EDG-MED-f9979214-1
0.500
MAT-POS-c88128cb-13
0.500
PET-UNK-022eab87-2
0.500
EDJ-MED-211392e3-3
0.500
PET-UNK-4b4f2bb7-5
0.491
ALP-POS-6f6ae286-2
0.491
PET-UNK-b78139fa-15
0.491
PET-UNK-b78139fa-18
0.486
PET-UNK-09a29654-5
0.483
PET-UNK-6e612674-13
0.482
PET-UNK-6e612674-5
0.482
ALP-POS-1cbc2fae-2
0.481
PET-UNK-ab76d8f6-1
0.478
ALP-POS-1cbc2fae-1
0.477
MAT-POS-806462de-2
0.477
MAT-POS-806462de-1
0.477
MAT-POS-90fd5f68-12
0.476
PET-UNK-329a9ce9-5
0.470
PET-UNK-b78139fa-12
0.468
PET-UNK-b78139fa-16
0.467
MAT-POS-c88128cb-12
0.464
EDJ-MED-211392e3-1
0.464
MIC-UNK-ea4eb352-1
0.464
EDG-MED-10fcb19e-1
0.461
TET-ENA-382364b7-1
0.459
PET-UNK-1abb40f2-2
0.459
PET-UNK-1abb40f2-4
0.459
PET-UNK-4b4f2bb7-7
0.455
PET-UNK-b78139fa-17
0.454
PET-UNK-f9b7ae87-5
0.451
PET-UNK-4b4f2bb7-9
0.450
MIC-UNK-7f86385f-2
0.449
EDJ-MED-6bf93aa8-1
0.448
MAT-POS-c88128cb-11
0.447
EDG-MED-b8f93667-4
0.447
PET-UNK-e9bc7c59-8
0.445
PET-UNK-81b485b5-9
0.445
PET-UNK-81b485b5-23
0.445
MIC-UNK-7f86385f-1
0.444
EDJ-MED-1b46f08e-1
0.444
EDJ-MED-70ab3faf-2
0.442
MIC-UNK-7f86385f-3
0.438
PET-UNK-b78139fa-11
0.438
PET-UNK-4b4f2bb7-3
0.435
PET-UNK-09a29654-6
0.434
PET-UNK-4b4f2bb7-6
0.434
PET-UNK-09a29654-4
0.433
PET-UNK-c671f938-4
0.433
PET-UNK-c671f938-8
0.433
EDG-MED-b8f93667-2
0.431
MIC-UNK-54748b58-2
0.429
PET-UNK-329a9ce9-7
0.429
EDJ-MED-d9f3798e-2
0.427
PET-UNK-a7639856-2
0.427
MIC-UNK-7f86385f-4
0.426
PET-UNK-b566c0b0-1
0.426
PET-UNK-5ad1c31a-3
0.425
PET-UNK-5ad1c31a-4
0.425
PET-UNK-5ad1c31a-10
0.425
PET-UNK-5ad1c31a-9
0.425
ALP-POS-f1807566-3
0.425
PET-UNK-c0891748-3
0.425
PET-UNK-c0891748-9
0.425
PET-UNK-03fd2068-9
0.424
PET-UNK-7bb24635-2
0.424
LUO-POS-c9faae85-1
0.424
EDJ-MED-70ab3faf-3
0.424
MIC-UNK-7f86385f-5
0.423
PET-UNK-0d6841fa-5
0.421
PET-UNK-4b4f2bb7-8
0.421
PET-UNK-c65ea24c-1
0.420
PET-UNK-ad758083-5
0.420
PET-UNK-7bb24635-3
0.419
PET-UNK-7bb24635-1
0.419
EDG-MED-b8f93667-6
0.418
EDJ-MED-c3ea9889-3
0.418
PET-UNK-5d7c542f-1
0.417
ALP-POS-6f6ae286-3
0.417
EDJ-MED-dac03e7f-1
0.417
EDG-MED-b8f93667-8
0.415
EDJ-MED-dac03e7f-3
0.414