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DocumentationIdentifier: MM376869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376869 |
| SMILES |
CC=C(CC#N)NC=NC
|
| InChIKey |
GVXPVKSNGMTULH-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.05
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 | 0.7328 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8458 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7239 |
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| Cosine metric | 0.8398 |
| Dice metric | 0.8398 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306590
Similarity: 0.6978
Similarity to MM306590
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.822 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+273 more
