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DocumentationIdentifier: MM413948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413948 |
| SMILES |
CC=C(C#N)OCCOC
|
| InChIKey |
SNPQFDCKOSGXRV-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54821
Similarity: 0.8913
Similarity to MM54821
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
| Dice metric | 0.9425 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90148
Similarity: 0.7455
Similarity to MM90148
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8542 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382119
Similarity: 0.7321
Similarity to MM382119
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8454 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
