Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM62387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62387 |
| SMILES |
C#CC(=O)OC(=C)C(C)O
|
| InChIKey |
XKIHPTXXLPFMRE-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40849
Similarity: 0.7516
Similarity to MM40849
| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8582 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142811
Similarity: 0.6797
Similarity to MM142811
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8093 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43264
Similarity: 0.6667
Similarity to MM43264
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
