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DocumentationIdentifier: MM267542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267542 |
| SMILES |
C=COC(C)=CN(C)C=O
|
| InChIKey |
LGCMGPXPHHFKFU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.1
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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MM43489
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Similarity to MM43489
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7541 |
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| Cosine metric | 0.8598 |
| Dice metric | 0.8598 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.8647 |
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| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+202 more
