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DocumentationIdentifier: MM294115
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294115 |
| SMILES |
C=CCC(=C)C(=O)CC=O
|
| InChIKey |
NYDIJHKIWOTXPV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173677
Similarity: 0.8058
Similarity to MM173677
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294113
Similarity: 0.7155
Similarity to MM294113
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8342 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269662
Similarity: 0.696
Similarity to MM269662
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8208 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
