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DocumentationIdentifier: MM358441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358441 |
| SMILES |
O=COCC(O)C#CCO
|
| InChIKey |
LHSAOTADZAYOSC-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46522
Similarity: 0.8876
Similarity to MM46522
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158319
Similarity: 0.7865
Similarity to MM158319
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358543
Similarity: 0.7767
Similarity to MM358543
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8746 |
| Dice metric | 0.8743 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
