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DocumentationIdentifier: MM376832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376832 |
| SMILES |
C=CC(OC=O)C(C)C=O
|
| InChIKey |
IMFCGGNKYKZILS-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.55
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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MM172195
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| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM243211
Similarity: 0.5909
Similarity to MM243211
| Tanimoto metric | 0.5909 |
|---|---|
| Cosine metric | 0.7429 |
| Dice metric | 0.7429 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272539
Similarity: 0.5577
Similarity to MM272539
| Tanimoto metric | 0.5577 |
|---|---|
| Cosine metric | 0.7161 |
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| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+50 more
