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DocumentationIdentifier: MM451599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451599 |
| SMILES |
COCC=CCOCC#N
|
| InChIKey |
RUCVWWFOHQSVIX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125877
Similarity: 0.8431
Similarity to MM125877
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56270
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| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8431 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM91605
Similarity: 0.6901
Similarity to MM91605
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8167 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
