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DocumentationIdentifier: MM263666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263666 |
| SMILES |
C=CCC(=C)CC(=O)C=C
|
| InChIKey |
TZRPJKIJTZTVGM-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
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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MM142683
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| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135576
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| Tanimoto metric | 0.7849 |
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| Cosine metric | 0.886 |
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| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
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Total active interactions
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MM263667
Similarity: 0.7692
Similarity to MM263667
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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