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DocumentationIdentifier: MM93643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93643 |
| SMILES |
COC(=O)C#CC=CCO
|
| InChIKey |
YARMWDNUYYFICP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
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
MM170823
Similarity: 0.8851
Similarity to MM170823
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368800
Similarity: 0.8105
Similarity to MM368800
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8953 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368718
Similarity: 0.7879
Similarity to MM368718
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8814 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
