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DocumentationIdentifier: MM180798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180798 |
| SMILES |
CCC(O)C(=O)C1CN1
|
| InChIKey |
OFXRKPAUYPHOBF-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.7
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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MM189690
Similarity: 0.7931
Similarity to MM189690
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.5747 |
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| Cosine metric | 0.7581 |
| Dice metric | 0.7299 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM399145
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Similarity to MM399145
| Tanimoto metric | 0.543 |
|---|---|
| Cosine metric | 0.7203 |
| Dice metric | 0.7038 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
