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DocumentationIdentifier: MM292514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292514 |
| SMILES |
C=CC#CC=C(C)NC=N
|
| InChIKey |
NALMCLVJUIBDEI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
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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MM159745
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| Tanimoto metric | 0.9222 |
|---|---|
| Cosine metric | 0.9603 |
| Dice metric | 0.9595 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM88152
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| Tanimoto metric | 0.7981 |
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| Cosine metric | 0.8883 |
| Dice metric | 0.8877 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292497
Similarity: 0.7905
Similarity to MM292497
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.883 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
