Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2cncc(NC(=O)C3CNS(=O)(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 480.03 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 134.33 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
EDG-MED-10fcb19e-1
EDJ-MED-d9f3798e-3
0.684
EDJ-MED-f9b78f78-5
0.678
EDJ-MED-f9b78f78-1
0.674
MAT-POS-af1eef35-3
0.667
EDJ-MED-e18764cb-2
0.667
ALP-POS-a577c8a2-1
0.667
BEN-DND-d6f8d3c6-1
0.667
EDJ-MED-d9f3798e-1
0.667
EDJ-MED-f9b78f78-2
0.634
PET-UNK-329a9ce9-1
0.602
EDJ-MED-f9b78f78-6
0.564
EDG-MED-f9979214-1
0.562
EDJ-MED-f9b78f78-3
0.554
MAT-POS-2e8b2191-10
0.531
EDJ-MED-c4e42105-3
0.531
MAT-POS-2e8b2191-11
0.526
EDJ-MED-378a25ea-26
0.521
MAT-POS-2e8b2191-9
0.521
MAT-POS-e36d57d9-1
0.521
MIK-UNK-78dbf1b8-1
0.519
MIK-UNK-58cd43d0-1
0.519
ALP-POS-4483ae88-4
0.519
EDJ-MED-c4e42105-2
0.513
EDJ-MED-c4e42105-4
0.513
MAT-POS-419aafdb-1
0.500
EDJ-MED-c4e42105-1
0.496
MAT-POS-90fd5f68-30
0.495
MAT-POS-419aafdb-2
0.491
TET-ENA-382364b7-1
0.491
EDJ-MED-93390d0c-1
0.491
PET-UNK-b78139fa-7
0.481
PET-UNK-09a29654-2
0.478
EDJ-MED-827e7cb4-1
0.477
PET-UNK-09a29654-1
0.465
EDJ-MED-93390d0c-2
0.464
PET-UNK-329a9ce9-5
0.461
BEN-DND-11faade0-1
0.461
PET-UNK-2c6614b6-6
0.458
PET-UNK-e9bc7c59-2
0.456
EDG-MED-10fcb19e-1
0.452
PET-UNK-e9bc7c59-1
0.452
PET-UNK-7bb24635-4
0.450
BEN-DND-f06bfa8e-5
0.448
EDJ-MED-b7309adf-2
0.448
ERI-UCB-b3e6b0c2-2
0.440
PET-UNK-b78139fa-6
0.439
PET-UNK-022eab87-1
0.438
MAT-POS-b4d6b7fc-1
0.438
ALP-POS-f1807566-2
0.438
PET-UNK-fe31e24a-2
0.438
PET-UNK-fe31e24a-1
0.438
PET-UNK-c671f938-4
0.437
PET-UNK-c671f938-8
0.437
BEN-DND-c852c98b-5
0.436
ERI-UCB-8d4e5055-4
0.436
MAT-POS-b4d6b7fc-2
0.434
PET-UNK-1e13ef09-2
0.434
ALP-POS-e6e0c683-4
0.434
EDJ-MED-94fddcec-1
0.431
PET-UNK-b78139fa-2
0.429
PET-UNK-09a29654-3
0.429
PET-UNK-03fd2068-3
0.429
ALP-POS-6f6ae286-7
0.429
EDG-MED-f9979214-2
0.429
MAT-POS-c7726e07-7
0.427
EDJ-MED-be9e6f63-3
0.427
MAT-POS-c7726e07-8
0.427
EDJ-MED-378a25ea-25
0.427
PET-UNK-6e612674-4
0.427
PET-UNK-6e612674-12
0.427
PET-UNK-2c6614b6-7
0.427
ALP-POS-a577c8a2-2
0.427
PET-UNK-b78139fa-8
0.426
PET-UNK-81b485b5-9
0.425
PET-UNK-81b485b5-23
0.425
FRA-DIA-6238d354-2
0.425
MAR-UCB-6ab2ec87-1
0.425
ERI-UCB-b3e6b0c2-8
0.422
PET-UNK-b78139fa-5
0.422
MAT-POS-c88128cb-1
0.421
PET-UNK-2c6614b6-2
0.421
PET-UNK-7bb24635-6
0.421
ERI-UCB-8d4e5055-3
0.420
MAT-POS-7ddaf7de-2
0.420
PET-UNK-329a9ce9-2
0.419
ALF-EVA-5b152d2f-2
0.418
PET-UNK-b38839dc-17
0.417
PET-UNK-7bb24635-5
0.417
BEN-DND-0ac71396-2
0.417
MAT-POS-1ecf5680-1
0.417
LUO-POS-868e8996-14
0.417
MIC-UNK-91acba05-3
0.417
MAT-POS-66a736cf-1
0.417
LUO-POS-868e8996-13
0.417
BEN-DND-0ac71396-1
0.416
PET-UNK-b78139fa-3
0.416
PET-UNK-329a9ce9-3
0.415
PET-UNK-e9bc7c59-3
0.415
PET-UNK-b38839dc-16
0.414
EDJ-MED-ba7e64f2-1
0.413