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DocumentationIdentifier: MM368654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368654 |
| SMILES |
C#CC(C)CCC=CCC
|
| InChIKey |
VGFQBYJIMNKYKZ-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3
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 | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM405395
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| Tanimoto metric | 0.8636 |
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| Cosine metric | 0.9276 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
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|---|---|---|---|---|---|
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Total active interactions
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MM368790
Similarity: 0.8507
Similarity to MM368790
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9194 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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