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DocumentationIdentifier: MM94352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94352 |
| SMILES |
C#CC(OC=O)C(C)C=O
|
| InChIKey |
UUHRCDHFDZFZAP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM51350
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| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172195
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| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268601
Similarity: 0.5621
Similarity to MM268601
| Tanimoto metric | 0.5621 |
|---|---|
| Cosine metric | 0.7202 |
| Dice metric | 0.7197 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+54 more
