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DocumentationIdentifier: MM283796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283796 |
| SMILES |
CC=CCOC(C)=CC#N
|
| InChIKey |
OWEWOZDQKITSHJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158996
Similarity: 0.8851
Similarity to MM158996
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167979
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| Tanimoto metric | 0.7471 |
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| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107853
Similarity: 0.7011
Similarity to MM107853
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8243 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
