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DocumentationIdentifier: MM289161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289161 |
| SMILES |
COCCCC=CC(C)N
|
| InChIKey |
SVDOGSJHJXOJIJ-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.32
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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MM76801
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| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM362922
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| Dice metric | 0.8406 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
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|---|---|---|---|---|---|
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Total active interactions
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MM451102
Similarity: 0.7089
Similarity to MM451102
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8296 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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