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DocumentationIdentifier: MM281520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281520 |
| SMILES |
C#CCN=CN(C)CCF
|
| InChIKey |
FODHZLVQEFYTIT-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM157687
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Similarity to MM157687
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6932 |
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| Cosine metric | 0.821 |
| Dice metric | 0.8188 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377579
Similarity: 0.6915
Similarity to MM377579
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8176 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
