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DocumentationIdentifier: MM350901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350901 |
| SMILES |
C#CC(=C)C(O)C(=O)C=C
|
| InChIKey |
XGBDBNSKSICPJO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47455
Similarity: 0.759
Similarity to MM47455
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350735
Similarity: 0.6872
Similarity to MM350735
| Tanimoto metric | 0.6872 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8146 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82606
Similarity: 0.6414
Similarity to MM82606
| Tanimoto metric | 0.6414 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7815 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
