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DocumentationIdentifier: MM330808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330808 |
| SMILES |
C#CC(C#C)NC(=O)CO
|
| InChIKey |
LPGNTSQWASBHRZ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142472
Similarity: 0.9118
Similarity to MM142472
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64986
Similarity: 0.7623
Similarity to MM64986
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8651 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227170
Similarity: 0.744
Similarity to MM227170
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8532 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
