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DocumentationIdentifier: MM70041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70041 |
| SMILES |
COCC(C)OC=CC#N
|
| InChIKey |
ZPNWKVOPECXUCG-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
MM48970
Similarity: 0.8272
Similarity to MM48970
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368000
Similarity: 0.7912
Similarity to MM368000
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8834 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405995
Similarity: 0.7528
Similarity to MM405995
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.859 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
