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DocumentationIdentifier: MM406768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406768 |
| SMILES |
C#CC(CN)NC=NCC
|
| InChIKey |
OJUJDAZEYOQPQG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.42
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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MM388377
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Similarity to MM388377
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8454 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168413
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| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116140
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Similarity to MM116140
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
