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DocumentationIdentifier: MM357848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357848 |
| SMILES |
CCC#CC(F)C(O)C=O
|
| InChIKey |
SHDBPFADYDHDMV-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174597
Similarity: 0.872
Similarity to MM174597
| Tanimoto metric | 0.872 |
|---|---|
| Cosine metric | 0.9338 |
| Dice metric | 0.9316 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86395
Similarity: 0.8261
Similarity to MM86395
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90363
Similarity: 0.773
Similarity to MM90363
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
