Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 387.04 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 89.02 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-2c6614b6-8
0.756
BEN-DND-f06bfa8e-5
0.750
EDJ-MED-b7309adf-2
0.750
MIC-UNK-91acba05-3
0.741
LUO-POS-868e8996-14
0.741
MAT-POS-66a736cf-1
0.741
LUO-POS-868e8996-13
0.741
PET-UNK-b78139fa-9
0.716
PET-UNK-2c6614b6-7
0.706
EDJ-MED-b7309adf-1
0.698
PET-UNK-2c6614b6-5
0.698
MAT-POS-86c60949-1
0.698
PET-UNK-2c6614b6-6
0.694
PET-UNK-2c6614b6-2
0.685
PET-UNK-7bb24635-6
0.685
EDG-MED-f9979214-2
0.682
BEN-DND-0ac71396-1
0.682
ALP-POS-6f6ae286-7
0.682
EDJ-MED-93390d0c-2
0.674
BEN-DND-0ac71396-2
0.659
EDJ-MED-93390d0c-1
0.656
PET-UNK-7bb24635-4
0.656
PET-UNK-7f7e354d-3
0.655
EDG-MED-f9979214-1
0.652
PET-UNK-2c6614b6-3
0.648
PET-UNK-b1ef24dc-16
0.644
PET-UNK-b38839dc-15
0.644
PET-UNK-b38839dc-17
0.641
PET-UNK-7bb24635-5
0.641
EDJ-MED-94fddcec-1
0.638
PET-UNK-b1ef24dc-15
0.636
PET-UNK-b38839dc-16
0.634
EDJ-MED-d9f3798e-3
0.628
PET-UNK-b1ef24dc-13
0.625
EDJ-MED-94fddcec-3
0.618
PET-UNK-09a29654-1
0.615
PET-UNK-09a29654-2
0.615
PET-UNK-b1ef24dc-14
0.611
PET-UNK-2c6614b6-4
0.611
EDJ-MED-94fddcec-2
0.604
BEN-DND-4f474d93-1
0.602
ALP-POS-ce760d3f-2
0.602
BEN-DND-4f474d93-3
0.602
PET-UNK-2c6614b6-1
0.598
PET-UNK-09a29654-3
0.596
PET-UNK-1e13ef09-5
0.554
PET-UNK-b78139fa-8
0.543
PET-UNK-158bee2a-10
0.535
PET-UNK-022eab87-1
0.527
PET-UNK-158bee2a-12
0.523
PET-UNK-158bee2a-11
0.523
EDJ-MED-dd2a8363-2
0.521
MIC-UNK-8758c41d-1
0.516
ALP-UNI-8d415491-3
0.511
VLA-UNK-56836b69-4
0.505
PET-UNK-f4e47ebd-10
0.505
PET-UNK-f4e47ebd-6
0.500
PET-UNK-b78139fa-2
0.495
PET-UNK-b78139fa-6
0.495
PET-UNK-b78139fa-7
0.495
PET-UNK-158bee2a-9
0.495
BEN-DND-f06bfa8e-4
0.490
PET-UNK-b78139fa-5
0.490
PET-UNK-4b4f2bb7-9
0.480
PET-UNK-b78139fa-18
0.474
BEN-DND-34fc7f90-7
0.474
PET-UNK-b78139fa-3
0.465
ALP-POS-a577c8a2-2
0.465
EDJ-MED-f9b78f78-5
0.463
MAT-POS-af1eef35-3
0.459
BEN-DND-d6f8d3c6-1
0.459
EDJ-MED-e18764cb-2
0.459
ALP-POS-a577c8a2-1
0.459
BEN-DND-34fc7f90-4
0.459
BEN-DND-34fc7f90-1
0.458
PET-UNK-064639eb-1
0.455
PET-UNK-064639eb-4
0.455
PET-UNK-b1ef24dc-24
0.454
ALP-POS-ce760d3f-3
0.449
BEN-DND-4f474d93-2
0.449
PET-UNK-b1ef24dc-23
0.449
PET-UNK-c0891748-4
0.444
PET-UNK-c0891748-10
0.444
DAR-DIA-0f2f46c9-10
0.440
JUL-TUD-06b2044f-46
0.440
MAT-POS-b3e365b9-1
0.439
MAT-POS-f7918075-1
0.439
PET-UNK-b1ef24dc-21
0.439
MAT-POS-78e1d523-1
0.439
VLA-UCB-1dbca3b4-15
0.439
MAT-POS-b3e365b9-2
0.439
EDJ-MED-92e193ae-1
0.434
MIC-UNK-91acba05-5
0.434
EDJ-MED-92e193ae-2
0.434
ALP-POS-477dc5b7-2
0.434
RAL-THA-8416115c-3
0.431
MIC-UNK-91acba05-6
0.430
RAL-THA-8416115c-2
0.430
DAR-DIA-0f2f46c9-12
0.430
ROB-UNI-322e8f70-2
0.430