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DocumentationIdentifier: MM173670
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173670 |
| SMILES |
C=C(CC)C(=C)CC=O
|
| InChIKey |
QVTYLEJUDNSTHH-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM294107
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| Tanimoto metric | 0.9714 |
|---|---|
| Cosine metric | 0.9856 |
| Dice metric | 0.9855 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8529 |
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| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294103
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Similarity to MM294103
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
