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DocumentationIdentifier: MM377964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377964 |
| SMILES |
C#CC(=C)C(CCC)NC
|
| InChIKey |
OGAYWGAHUHVGGF-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.56
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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MM197269
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Similarity to MM197269
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378000
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Similarity to MM378000
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8309 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179813
Similarity: 0.6715
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| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8035 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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