Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CS(=O)(=O)Cc4ccc(Br)cc43)c2c1 |
MW: | 507.98 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 110.27 |
cLogP: | 3.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
ALP-POS-e6e0c683-4
ALP-POS-e6e0c683-4
0.764
PET-UNK-1e13ef09-2
0.764
PET-UNK-329a9ce9-1
0.569
PET-UNK-329a9ce9-2
0.563
PET-UNK-1b92fa34-2
0.551
PET-UNK-329a9ce9-3
0.514
BEN-DND-a02b439d-11
0.500
FRA-DIA-6238d354-2
0.500
PET-UNK-1b92fa34-1
0.500
PET-UNK-329a9ce9-4
0.495
BEN-DND-a02b439d-10
0.495
PET-UNK-1e13ef09-6
0.490
EDJ-MED-827e7cb4-1
0.486
EDJ-MED-93390d0c-1
0.486
BEN-DND-c852c98b-5
0.485
ERI-UCB-8d4e5055-4
0.485
PET-UNK-1b92fa34-4
0.481
PET-UNK-1e13ef09-3
0.477
ALP-UNI-8d415491-5
0.476
EDJ-MED-611d11e7-2
0.476
MAT-POS-96f51285-4
0.472
EDJ-MED-611d11e7-3
0.472
PET-UNK-1e13ef09-5
0.471
MAT-POS-64942dd0-1
0.468
EDJ-MED-827e7cb4-4
0.467
EDJ-MED-ce467fd5-2
0.456
PET-UNK-1e13ef09-1
0.453
EDJ-MED-ce467fd5-1
0.451
EDJ-MED-827e7cb4-3
0.451
PET-UNK-1e13ef09-4
0.450
PET-UNK-b566c0b0-2
0.441
PET-UNK-b1ef24dc-17
0.438
EDJ-MED-827e7cb4-2
0.438
EDJ-MED-378a25ea-10
0.437
PET-UNK-b1ef24dc-19
0.434
EDJ-MED-ce467fd5-4
0.431
PET-UNK-1b92fa34-3
0.430
PET-UNK-e274cad4-5
0.426
PET-UNK-e274cad4-10
0.421
PET-UNK-b1ef24dc-20
0.421
MAT-POS-edabd372-1
0.418
TET-ENA-9b1de71a-1
0.418
RAL-THA-b9d6aec1-2
0.414
PET-UNK-b1ef24dc-18
0.411
RAL-THA-b9d6aec1-3
0.409
RAL-THA-b9d6aec1-1
0.402
EDJ-MED-827e7cb4-9
0.389
EDJ-MED-827e7cb4-6
0.388
EDJ-MED-611d11e7-1
0.386
MAT-POS-96f51285-2
0.386
EDJ-MED-946e547c-1
0.385
EDJ-MED-827e7cb4-5
0.384
PET-UNK-81b485b5-12
0.381
PET-UNK-81b485b5-26
0.381
EDJ-MED-670ad2ee-4
0.381
EDJ-MED-841e0cf0-4
0.381
EDJ-MED-923a35c2-1
0.376
FRA-DIA-6238d354-1
0.376
EDJ-MED-923a35c2-2
0.375
MAT-POS-edabd372-2
0.374
PET-UNK-03fd2068-3
0.372
EDJ-MED-378a25ea-12
0.371
EDJ-MED-923a35c2-3
0.368
MAT-POS-11b63608-1
0.367
PET-UNK-b78139fa-7
0.367
EDJ-MED-93390d0c-4
0.364
EDJ-MED-670ad2ee-10
0.362
EDJ-MED-841e0cf0-7
0.362
EDJ-MED-670ad2ee-9
0.362
EDJ-MED-1b5395f9-5
0.357
EDJ-MED-1b5395f9-6
0.357
EDJ-MED-1b5395f9-4
0.357
EDJ-MED-d9f3798e-3
0.356
EDJ-MED-d9f3798e-1
0.356
PET-UNK-b566c0b0-7
0.355
EDJ-MED-d9f3798e-2
0.353
MAT-POS-c88128cb-2
0.352
ERI-UCB-8d4e5055-3
0.351
MAT-POS-7ddaf7de-2
0.351
EDJ-MED-f9b78f78-1
0.351
MAT-POS-64942dd0-2
0.350
PET-UNK-03fd2068-5
0.350
PET-UNK-09a29654-1
0.350
PET-UNK-e9bc7c59-1
0.350
ALF-EVA-5b152d2f-2
0.348
EDJ-MED-841e0cf0-6
0.347
EDJ-MED-670ad2ee-7
0.347
EDJ-MED-670ad2ee-8
0.347
EDJ-MED-1b5395f9-1
0.347
EDJ-MED-1b5395f9-2
0.347
EDJ-MED-1b5395f9-3
0.347
ALF-EVA-5b152d2f-3
0.345
EDJ-MED-93390d0c-2
0.345
MAT-POS-2e8b2191-10
0.344
MAT-POS-78ab8081-3
0.344
MAT-POS-8d5af1ef-1
0.342
BEN-DND-c852c98b-4
0.342
EDJ-MED-ba7e64f2-1
0.342
MAT-POS-2e8b2191-11
0.341
EDJ-MED-ce467fd5-3
0.341