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DocumentationIdentifier: MM59683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59683 |
| SMILES |
C#CCOC(C)CC(C)=O
|
| InChIKey |
NVIGCCSDJOYKMW-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135220
Similarity: 0.8058
Similarity to MM135220
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59656
Similarity: 0.7034
Similarity to MM59656
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8259 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64726
Similarity: 0.672
Similarity to MM64726
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8038 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
