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DocumentationIdentifier: MM223828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223828 |
| SMILES |
C=C(C#N)C(C)C(C)(C)C
|
| InChIKey |
IWVQLFNHEZUOCM-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160424
Similarity: 0.8283
Similarity to MM160424
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234828
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Similarity to MM234828
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8488 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349663
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Similarity to MM349663
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8177 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
