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DocumentationIdentifier: MM407026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407026 |
| SMILES |
C#CC(CC)C(C)OC=O
|
| InChIKey |
VMFSVILUCHXCSA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172293
Similarity: 0.7273
Similarity to MM172293
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407576
Similarity: 0.6667
Similarity to MM407576
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171981
Similarity: 0.6529
Similarity to MM171981
| Tanimoto metric | 0.6529 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.79 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
