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DocumentationIdentifier: MM283589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283589 |
| SMILES |
C=CC=C(C)CCOC=O
|
| InChIKey |
QCMUJCAJKFFOCI-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
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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| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7978 |
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| Cosine metric | 0.8932 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM295911
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Similarity to MM295911
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8494 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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