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DocumentationIdentifier: MM351515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351515 |
| SMILES |
C#CC(O)C(=O)COCC
|
| InChIKey |
KPMJHMJFOHGLPV-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173532
Similarity: 0.843
Similarity to MM173532
| Tanimoto metric | 0.843 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9148 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351600
Similarity: 0.7133
Similarity to MM351600
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8327 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162404
Similarity: 0.7025
Similarity to MM162404
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
