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DocumentationIdentifier: MM16176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16176 |
| SMILES |
N#CC=COCC(=O)O
|
| InChIKey |
MOQVWLPMYPBETR-UHFFFAOYSA-N
|
| MW [Da] |
127.1
Automatically obtained from RDkit software. |
| LogP |
0.12
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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MM91768
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| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7917 |
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| Cosine metric | 0.8898 |
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| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126238
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Similarity to MM126238
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
