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DocumentationIdentifier: MM138410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138410 |
| SMILES |
C=CCCC(C)(F)C#N
|
| InChIKey |
SNJOQYPYPFKRQA-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM240104
Similarity: 0.8515
Similarity to MM240104
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240106
Similarity: 0.8431
Similarity to MM240106
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308648
Similarity: 0.7748
Similarity to MM308648
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+467 more
