Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 373.03 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 89.02 |
cLogP: | 2.79 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-8
0.738
PET-UNK-022eab87-1
0.722
PET-UNK-2c6614b6-9
0.716
PET-UNK-b78139fa-6
0.695
PET-UNK-b78139fa-5
0.687
PET-UNK-b78139fa-7
0.675
PET-UNK-b78139fa-2
0.667
PET-UNK-b78139fa-3
0.629
PET-UNK-1e13ef09-5
0.628
PET-UNK-b1ef24dc-24
0.624
PET-UNK-b1ef24dc-23
0.616
PET-UNK-b1ef24dc-22
0.605
PET-UNK-b1ef24dc-21
0.605
PET-UNK-b78139fa-4
0.598
PET-UNK-b78139fa-1
0.584
BEN-DND-4f474d93-1
0.551
ALP-POS-ce760d3f-2
0.551
BEN-DND-4f474d93-3
0.551
PET-UNK-2c6614b6-8
0.533
EDJ-MED-b7309adf-2
0.522
BEN-DND-f06bfa8e-5
0.522
PET-UNK-f4e47ebd-10
0.521
LUO-POS-868e8996-14
0.516
MAT-POS-66a736cf-1
0.516
MIC-UNK-91acba05-3
0.516
LUO-POS-868e8996-13
0.516
BEN-DND-0ac71396-1
0.495
PET-UNK-2c6614b6-7
0.495
ALP-UNI-8d415491-3
0.495
MAT-POS-86c60949-1
0.490
EDJ-MED-b7309adf-1
0.490
PET-UNK-2c6614b6-5
0.490
BEN-DND-34fc7f90-7
0.489
PET-UNK-7bb24635-6
0.485
PET-UNK-2c6614b6-2
0.485
PET-UNK-2c6614b6-6
0.484
ALP-POS-6f6ae286-7
0.480
EDG-MED-f9979214-2
0.480
EDJ-MED-f9b78f78-5
0.478
EDJ-MED-93390d0c-2
0.475
PET-UNK-b78139fa-18
0.474
BEN-DND-34fc7f90-4
0.474
VLA-UNK-56836b69-4
0.473
BEN-DND-34fc7f90-1
0.473
PET-UNK-f4e47ebd-6
0.469
EDJ-MED-94fddcec-1
0.466
BEN-DND-0ac71396-2
0.465
EDG-MED-f9979214-1
0.461
PET-UNK-7bb24635-4
0.460
EDJ-MED-93390d0c-1
0.460
BEN-DND-d6f8d3c6-1
0.458
EDJ-MED-e18764cb-2
0.458
PET-UNK-c0891748-10
0.458
PET-UNK-b38839dc-15
0.458
ROB-UNI-322e8f70-2
0.458
ALP-POS-a577c8a2-1
0.458
MAT-POS-af1eef35-3
0.458
PET-UNK-c0891748-4
0.458
EDJ-MED-d9f3798e-3
0.456
PET-UNK-2c6614b6-3
0.455
JUL-TUD-06b2044f-46
0.454
PET-UNK-7f7e354d-3
0.454
PET-UNK-7bb24635-5
0.451
PET-UNK-b38839dc-17
0.451
PET-UNK-4b4f2bb7-9
0.450
ALP-POS-a577c8a2-2
0.449
PET-UNK-1e13ef09-6
0.449
PET-UNK-b38839dc-16
0.447
PET-UNK-b1ef24dc-16
0.443
PET-UNK-1b92fa34-1
0.443
PET-UNK-f4e47ebd-14
0.441
EDJ-MED-f9b78f78-1
0.440
PET-UNK-b1ef24dc-15
0.439
MAT-POS-bb423b95-1
0.437
PET-UNK-b1ef24dc-14
0.434
PET-UNK-09a29654-2
0.434
PET-UNK-09a29654-1
0.434
EDJ-MED-f9b78f78-2
0.429
PET-UNK-b1ef24dc-13
0.429
MIC-UNK-54748b58-1
0.429
PET-UNK-1e13ef09-1
0.426
EDJ-MED-94fddcec-3
0.424
JUL-TUD-06b2044f-47
0.423
MAR-UCB-6ab2ec87-6
0.423
PET-UNK-09a29654-3
0.422
PET-UNK-2c6614b6-4
0.420
PET-UNK-5ad1c31a-2
0.419
PET-UNK-5ad1c31a-7
0.419
PET-UNK-5ad1c31a-1
0.419
PET-UNK-5ad1c31a-8
0.419
MAR-UCB-6ab2ec87-1
0.417
EDJ-MED-94fddcec-2
0.416
ALF-EVA-a24cc7ce-1
0.412
PET-UNK-2c6614b6-1
0.412
PET-UNK-b566c0b0-5
0.412
EDJ-MED-d9f3798e-2
0.411
PET-UNK-1e13ef09-3
0.410
VLA-UNK-82501c2c-1
0.409
JUL-TUD-06b2044f-51
0.409
PET-UNK-1b92fa34-2
0.406