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DocumentationIdentifier: MM243164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243164 |
| SMILES |
CC(C#N)(CCO)NC=N
|
| InChIKey |
NVUXQQVAPKEVRQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.15
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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MM63822
Similarity: 0.7381
Similarity to MM63822
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177983
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Similarity to MM177983
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8279 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM132382
Similarity: 0.619
Similarity to MM132382
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7647 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
