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DocumentationIdentifier: MM365082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365082 |
| SMILES |
C=C(CCOCC#N)OC
|
| InChIKey |
IHECDXKEWNQHND-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
MM166375
Similarity: 0.7922
Similarity to MM166375
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355880
Similarity: 0.7889
Similarity to MM355880
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.882 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364567
Similarity: 0.7294
Similarity to MM364567
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8435 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
