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DocumentationIdentifier: MM314130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314130 |
| SMILES |
C#CC=CCOCC(=O)O
|
| InChIKey |
VMHYJGMRQXBWRJ-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68505
Similarity: 0.7529
Similarity to MM68505
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8591 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268573
Similarity: 0.7191
Similarity to MM268573
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8366 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411047
Similarity: 0.7111
Similarity to MM411047
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8312 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
