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DocumentationIdentifier: MM411047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411047 |
| SMILES |
N#CC=CCOCC(=O)O
|
| InChIKey |
DMWSWUCKBPAEPM-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.17
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
|
MM213856
Similarity: 0.7403
Similarity to MM213856
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| 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
|
+183 more
