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DocumentationIdentifier: MM172859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172859 |
| SMILES |
C#CC(=C)C(C)OC=O
|
| InChIKey |
WKVNBZGWXHKKSQ-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.74
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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MM295348
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Similarity to MM295348
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM415936
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| Tanimoto metric | 0.7329 |
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| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378846
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| Tanimoto metric | 0.7181 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8359 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+111 more
