Molecular Properties | |
SMILES: | C=CS(=O)(=O)NN(C(=O)C1(F)CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 461.06 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Activated double bonds (3)
Filter10_Terminal_vinyl
Filter20_hydrazine
Filter88_ene_sulfone
acyl hydrazine
Hetero_hetero
JOH-UNI-ea72002d-6
0.536
PET-UNK-407a74a5-5
0.514
JOH-UNI-ea72002d-7
0.452
BEN-DND-a7517465-4
0.440
EDJ-MED-e4b030d8-13
0.440
MAT-POS-8e4737f4-1
0.440
DAR-DIA-6a508060-10
0.440
PET-UNK-5d7c542f-5
0.439
EDG-MED-971238d3-1
0.427
MAT-POS-9db1e783-1
0.427
DAR-DIA-e7614d05-1
0.426
DAR-DIA-e7614d05-2
0.426
ALP-POS-93b3621f-1
0.426
DAR-DIA-e7614d05-3
0.426
MIC-UNK-6e9f8a43-2
0.421
MAT-POS-2905de8c-2
0.420
MAT-POS-3b97339c-2
0.420
EDG-MED-971238d3-4
0.420
MAT-POS-2905de8c-1
0.420
EDG-MED-90036822-63
0.419
EDJ-MED-6d9ff7d0-10
0.418
EDG-MED-90036822-86
0.416
RAL-THA-e002e396-6
0.415
EDG-MED-90036822-24
0.415
EDJ-MED-6d9ff7d0-1
0.415
MAT-POS-2905de8c-3
0.414
EDG-MED-90036822-33
0.413
PET-UNK-29afea89-2
0.412
EDG-MED-0e5afe9d-3
0.412
EDJ-MED-d08626de-2
0.412
EDJ-MED-d08626de-1
0.412
MIK-ENA-fc9ceda2-1
0.411
PET-UNK-10c83c8b-1
0.410
EDJ-MED-6d9ff7d0-4
0.410
PET-UNK-407a74a5-15
0.409
MAT-POS-e6dd326d-8
0.408
PET-UNK-3bb57da2-1
0.408
EDJ-MED-6d9ff7d0-9
0.408
RAL-THA-e002e396-5
0.408
EDG-MED-971238d3-11
0.407
RAL-THA-e002e396-1
0.407
RAL-THA-e002e396-2
0.407
DAR-DIA-5ff57136-1
0.407
EDG-MED-90036822-100
0.407
DAR-DIA-5ff57136-2
0.407
ED_-GRI-5b13fbe2-47
0.407
EDG-MED-90036822-66
0.407
ED_-GRI-5b13fbe2-41
0.405
ED_-GRI-5b13fbe2-40
0.405
JOH-UNI-6e27fddc-4
0.404
RAL-THA-58fba2bc-4
0.403
MIC-UNK-ddc6ad53-1
0.403
ED_-GRI-5b13fbe2-72
0.403
MAT-POS-e6dd326d-4
0.403
VLA-UCB-05e51b3f-10
0.402
VLA-UCB-50c39ae8-7
0.402
EDG-MED-90036822-13
0.402
MAT-POS-090737b9-1
0.402
EDG-MED-971238d3-10
0.402
MAT-POS-45b13633-4
0.402
PET-UNK-bcc8fd08-1
0.402
RAL-THA-58fba2bc-1
0.402
MIC-UNK-ddc6ad53-3
0.402
PET-UNK-3bb57da2-2
0.402
PET-UNK-5d7c542f-4
0.402
MAT-POS-e6dd326d-5
0.402
EDG-MED-90036822-50
0.402
EDG-MED-90036822-88
0.402
EDJ-MED-28ec730d-2
0.400
EDG-MED-971238d3-2
0.400
MAT-POS-9db1e783-2
0.400
EDG-MED-90036822-8
0.398
EDG-MED-90036822-84
0.398
PET-UNK-4880b143-1
0.398
ED_-GRI-5b13fbe2-43
0.398
EDJ-MED-6864a934-10
0.398
MIC-UNK-5d22d78d-2
0.398
ED_-GRI-5b13fbe2-42
0.398
DAR-DIA-ecdbc7dd-13
0.398
EDG-MED-90036822-2
0.398
PET-UNK-824b5c6a-1
0.398
EDG-MED-90036822-76
0.397
EDG-MED-90036822-77
0.397
VLA-UCB-34f3ed0c-4
0.397
EDG-MED-90036822-21
0.397
EDG-MED-90036822-34
0.397
MAT-POS-2bb0cf2b-1
0.397
EDG-MED-971238d3-5
0.397
MAT-POS-45b13633-1
0.397
MAT-POS-e6dd326d-1
0.397
PET-UNK-29afea89-1
0.397
RAL-THA-e002e396-3
0.395
EDG-MED-90036822-29
0.395
PET-UNK-824b5c6a-3
0.395
EDG-MED-90036822-28
0.395
RAL-THA-e002e396-11
0.395
VLA-UNK-5c5a631c-3
0.395
EDG-MED-90036822-4
0.393
ED_-GRI-5b13fbe2-68
0.393
EDG-MED-90036822-15
0.393