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DocumentationIdentifier: MM358916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358916 |
| SMILES |
C#CC#CC(=O)C(O)CC
|
| InChIKey |
CFDQZJUFNKLHSI-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.04
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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MM48369
Similarity: 0.7705
Similarity to MM48369
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358749
Similarity: 0.7537
Similarity to MM358749
| Tanimoto metric | 0.7537 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8596 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358845
Similarity: 0.7266
Similarity to MM358845
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8417 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
