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DocumentationIdentifier: MM306807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306807 |
| SMILES |
C#CC(F)(C#C)C(O)C=O
|
| InChIKey |
HVLGYYIEVSSVOA-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41604
Similarity: 0.8844
Similarity to MM41604
| Tanimoto metric | 0.8844 |
|---|---|
| Cosine metric | 0.9404 |
| Dice metric | 0.9386 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233614
Similarity: 0.7081
Similarity to MM233614
| Tanimoto metric | 0.7081 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8291 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139965
Similarity: 0.6939
Similarity to MM139965
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
