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DocumentationIdentifier: MM229573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229573 |
| SMILES |
C#CC(C)(C#C)CC(C)=O
|
| InChIKey |
RFKPGJYDCKPQBQ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM130867
Similarity: 0.8605
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| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7442 |
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| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227137
Similarity: 0.7184
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| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8362 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
