Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnsc12)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 378.99 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 89.02 |
cLogP: | 2.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b1ef24dc-14
0.735
PET-UNK-b1ef24dc-18
0.644
PET-UNK-b1ef24dc-24
0.628
PET-UNK-b78139fa-9
0.605
PET-UNK-022eab87-1
0.605
PET-UNK-b78139fa-5
0.596
PET-UNK-b1ef24dc-21
0.591
PET-UNK-b78139fa-7
0.584
PET-UNK-b78139fa-6
0.584
PET-UNK-b78139fa-4
0.584
PET-UNK-b78139fa-8
0.584
PET-UNK-b1ef24dc-10
0.578
PET-UNK-b78139fa-1
0.571
PET-UNK-b78139fa-3
0.564
PET-UNK-b1ef24dc-6
0.560
PET-UNK-b78139fa-2
0.547
PET-UNK-b1ef24dc-23
0.533
PET-UNK-b1ef24dc-26
0.531
PET-UNK-b1ef24dc-34
0.531
PET-UNK-b1ef24dc-30
0.510
PET-UNK-ab76d8f6-4
0.470
PET-UNK-b1ef24dc-2
0.455
PET-UNK-b1ef24dc-16
0.449
BEN-DND-f06bfa8e-5
0.433
EDJ-MED-b7309adf-2
0.433
MAT-POS-66a736cf-1
0.429
LUO-POS-868e8996-13
0.429
LUO-POS-868e8996-14
0.429
MIC-UNK-91acba05-3
0.429
PET-UNK-2c6614b6-9
0.424
MAT-POS-86c60949-1
0.422
EDJ-MED-b7309adf-1
0.422
PET-UNK-2c6614b6-5
0.422
PET-UNK-b1ef24dc-13
0.420
PET-UNK-2c6614b6-6
0.416
EDJ-MED-94fddcec-3
0.416
PET-UNK-2c6614b6-8
0.416
BEN-DND-0ac71396-1
0.413
PET-UNK-2c6614b6-4
0.412
PET-UNK-2c6614b6-7
0.412
EDJ-MED-94fddcec-2
0.408
PET-UNK-2c6614b6-3
0.406
PET-UNK-2c6614b6-1
0.404
PET-UNK-0df12184-3
0.404
ALP-POS-6f6ae286-7
0.400
EDG-MED-f9979214-2
0.400
PET-UNK-158bee2a-11
0.400
PET-UNK-b1ef24dc-20
0.398
PET-UNK-158bee2a-12
0.398
PET-UNK-7bb24635-4
0.396
EDJ-MED-93390d0c-1
0.396
EDJ-MED-93390d0c-2
0.396
EDJ-MED-d9f3798e-3
0.394
PET-UNK-c65ea24c-4
0.394
EDJ-MED-f9b78f78-5
0.394
PET-UNK-158bee2a-10
0.394
PET-UNK-2c6614b6-2
0.393
PET-UNK-7bb24635-6
0.393
ROB-UNI-322e8f70-2
0.392
PET-UNK-b38839dc-15
0.392
EDJ-MED-94fddcec-1
0.391
BEN-DND-0ac71396-2
0.389
PET-UNK-b38839dc-17
0.389
PET-UNK-7bb24635-5
0.389
PET-UNK-7f7e354d-3
0.388
PET-UNK-b38839dc-16
0.385
EDG-MED-f9979214-1
0.385
MAT-POS-af1eef35-3
0.379
ALP-POS-a577c8a2-1
0.379
EDJ-MED-e18764cb-2
0.379
BEN-DND-d6f8d3c6-1
0.379
PET-UNK-1b92fa34-1
0.379
PET-UNK-1e13ef09-5
0.379
PET-UNK-1e13ef09-1
0.377
PET-UNK-c65ea24c-16
0.376
PET-UNK-09a29654-1
0.375
PET-UNK-09a29654-2
0.375
PET-UNK-b1ef24dc-15
0.375
ALP-POS-a577c8a2-2
0.371
EDJ-MED-f9b78f78-3
0.371
EDJ-MED-f9b78f78-6
0.368
PET-UNK-c0891748-4
0.365
PET-UNK-c0891748-10
0.365
PET-UNK-09a29654-3
0.365
EDJ-MED-f9b78f78-1
0.364
PET-UNK-b1ef24dc-17
0.362
PET-UNK-e274cad4-10
0.358
PET-UNK-1e13ef09-6
0.358
PET-UNK-1b92fa34-2
0.358
EDJ-MED-f9b78f78-2
0.357
PET-UNK-c65ea24c-10
0.357
EDJ-MED-d9f3798e-2
0.354
PET-UNK-158bee2a-9
0.353
PET-UNK-b1ef24dc-12
0.352
PET-UNK-e274cad4-5
0.352
PET-UNK-1e13ef09-4
0.351
PET-UNK-5ad1c31a-1
0.348
PET-UNK-5ad1c31a-2
0.348
PET-UNK-5ad1c31a-7
0.348
PET-UNK-5ad1c31a-8
0.348