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DocumentationIdentifier: MM106517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106517 |
| SMILES |
CC#CC#CC(=O)O
|
| InChIKey |
AABRUXCBRONHEK-UHFFFAOYSA-N
|
| MW [Da] |
108.1
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442090
Similarity: 0.9259
Similarity to MM442090
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
6-hydroxyhexa-2,4-diynoic Acid
Similarity: 0.9259
Similarity to 6-hydroxyhexa-2,4-diynoic Acid
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Hexa-2,4-diynedioic Acid
Similarity: 0.8929
Similarity to Hexa-2,4-diynedioic Acid
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 138.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
