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DocumentationIdentifier: MM298870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298870 |
| SMILES |
C=CC(C=C)C(=C)C(C)=O
|
| InChIKey |
KCJPQSLXZWRBOS-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
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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MM161043
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| Tanimoto metric | 0.9074 |
|---|---|
| Cosine metric | 0.9526 |
| Dice metric | 0.9515 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299754
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| Tanimoto metric | 0.705 |
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| Cosine metric | 0.8303 |
| Dice metric | 0.827 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM299756
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Similarity to MM299756
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8167 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
