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DocumentationIdentifier: MM340358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340358 |
| SMILES |
C#CC(C#C)CCC(C)C
|
| InChIKey |
YDVCVMQBSQJGMB-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
2.31
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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| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9583 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9167 |
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| Cosine metric | 0.9574 |
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| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144191
Similarity: 0.8542
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| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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