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DocumentationIdentifier: MM126460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126460 |
| SMILES |
C#CC#CCOC=C
|
| InChIKey |
DFYZNIYFPNCPNY-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
0.78
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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MM216082
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Similarity to MM216082
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8491 |
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| Cosine metric | 0.9214 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214430
Similarity: 0.7895
Similarity to MM214430
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
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| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
