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DocumentationIdentifier: MM359128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359128 |
| SMILES |
C#CC#CC(=C)C(O)C=C
|
| InChIKey |
YKRCKNVPFBNTRI-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174689
Similarity: 0.8279
Similarity to MM174689
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163704
Similarity: 0.7705
Similarity to MM163704
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359062
Similarity: 0.7537
Similarity to MM359062
| Tanimoto metric | 0.7537 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8596 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
