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DocumentationIdentifier: MM442381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442381 |
| SMILES |
C#CC#CC1CN1CC#N
|
| InChIKey |
LBMVSFGQQZQMIR-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-0.17
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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| Tanimoto metric | 0.8662 |
|---|---|
| Cosine metric | 0.9307 |
| Dice metric | 0.9283 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
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Total active interactions
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MM442317
Similarity: 0.7684
Similarity to MM442317
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.869 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
