Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 372.03 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.4 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-18
PET-UNK-b78139fa-17
PET-UNK-b78139fa-15
PET-UNK-b78139fa-14
PET-UNK-b78139fa-13
PET-UNK-b78139fa-12
PET-UNK-b78139fa-11
PET-UNK-b78139fa-10
PET-UNK-b78139fa-8
PET-UNK-b78139fa-7
PET-UNK-b78139fa-6
PET-UNK-b78139fa-5
PET-UNK-b78139fa-4
PET-UNK-b78139fa-3
PET-UNK-b78139fa-1
PET-UNK-b78139fa-16
PET-UNK-b78139fa-2
PET-UNK-b78139fa-9
PET-UNK-b78139fa-7
0.738
MIC-UNK-91acba05-3
0.725
MAT-POS-66a736cf-1
0.725
LUO-POS-868e8996-13
0.725
LUO-POS-868e8996-14
0.725
PET-UNK-b78139fa-9
0.722
PET-UNK-b78139fa-8
0.716
PET-UNK-b78139fa-5
0.707
PET-UNK-b78139fa-6
0.695
BEN-DND-d6f8d3c6-1
0.647
EDJ-MED-e18764cb-2
0.647
ALP-POS-a577c8a2-1
0.647
ROB-UNI-322e8f70-2
0.647
MAT-POS-af1eef35-3
0.647
ALP-POS-a577c8a2-2
0.632
PET-UNK-b78139fa-2
0.629
PET-UNK-b78139fa-3
0.629
PET-UNK-c0891748-4
0.628
PET-UNK-c0891748-10
0.628
PET-UNK-1b92fa34-1
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
MAR-UCB-6ab2ec87-6
0.586
PET-UNK-5ad1c31a-2
0.585
PET-UNK-5ad1c31a-7
0.585
PET-UNK-5ad1c31a-1
0.585
PET-UNK-5ad1c31a-8
0.585
PET-UNK-b78139fa-1
0.584
MAR-UCB-6ab2ec87-1
0.581
BEN-BAS-c2bc0d80-1
0.581
MIC-UNK-54748b58-1
0.579
EDJ-MED-12c115cc-1
0.576
EDJ-MED-12c115cc-2
0.576
MAT-POS-f7918075-2
0.576
MAT-POS-bbbbc21a-2
0.576
BEN-BAS-c2bc0d80-2
0.575
MIC-UNK-8758c41d-1
0.568
MAT-POS-3ccb8ef6-2
0.568
MAT-POS-78e1d523-1
0.568
MAT-POS-d8472c4f-5
0.568
MAT-POS-3ccb8ef6-1
0.568
BEN-DND-f2e727cd-5
0.568
MAT-POS-865c3497-2
0.562
ROB-UNI-322e8f70-3
0.562
ALP-POS-477dc5b7-2
0.562
EDJ-MED-92e193ae-1
0.562
EDJ-MED-92e193ae-2
0.562
MIC-UNK-91acba05-5
0.562
MIC-UNK-91acba05-1
0.562
MAT-POS-22e8b45a-1
0.562
MAT-POS-865c3497-1
0.562
EDG-MED-5d232de5-5
0.556
MIC-UNK-91acba05-6
0.556
EDG-MED-5d232de5-6
0.556
RAL-THA-8416115c-2
0.556
MAT-POS-b3e365b9-2
0.551
ALP-UNI-c3ef0aba-2
0.551
VLA-UCB-1dbca3b4-15
0.551
MAT-POS-b3e365b9-1
0.551
ALP-POS-477dc5b7-1
0.551
MIC-UNK-91acba05-4
0.551
MAT-POS-f7918075-1
0.551
BEN-DND-f2e727cd-4
0.551
ALP-POS-d3acb8cc-1
0.549
EDJ-MED-e4b030d8-3
0.549
ALP-POS-d3acb8cc-2
0.549
ALP-POS-d3acb8cc-3
0.549
ALP-POS-d3acb8cc-4
0.549
MAT-POS-dd3ad2b5-1
0.549
DAR-DIA-0f2f46c9-10
0.549
EDJ-MED-e4b030d8-2
0.549
MAT-POS-8a69d52e-1
0.549
MAT-POS-8a69d52e-2
0.549
MAT-POS-8a69d52e-3
0.549
BEN-DND-f2e727cd-6
0.549
MAT-POS-43c25e9b-2
0.544
MAR-UCB-6ab2ec87-7
0.544
MIC-UNK-45817b9b-1
0.544
EDJ-MED-a6bd50ad-1
0.544
MAT-POS-43c25e9b-1
0.544
EDJ-MED-b7309adf-2
0.539
BEN-DND-f06bfa8e-5
0.539
DAR-DIA-0f2f46c9-12
0.538
MAT-POS-2e8b2191-3
0.538
MAT-POS-2e8b2191-2
0.538
PET-UNK-c0891748-6
0.538
PET-UNK-c0891748-12
0.538
MIC-UNK-91acba05-2
0.538
EDJ-MED-eb111c00-1
0.538
ADA-UCB-dc2b944c-16
0.538
PET-UNK-1b92fa34-3
0.538
RAL-THA-8416115c-3
0.538
ALP-POS-a577c8a2-3
0.534
RAL-THA-05e671eb-3
0.533
PET-UNK-2c6614b6-6
0.533
ALP-POS-d054b76b-1
0.533
ALF-EVA-5b152d2f-1
0.533