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DocumentationIdentifier: MM281932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281932 |
| SMILES |
C=CCC=CC(=C)CC=O
|
| InChIKey |
AGSJAHJEFZUKRM-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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MM281850
Similarity: 0.8481
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| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9178 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8907 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM252271
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Similarity to MM252271
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8553 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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