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DocumentationIdentifier: MM272736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272736 |
| SMILES |
C#CC(C=CC)NC(C)C
|
| InChIKey |
PLMVBEYJFABOPE-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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MM178315
Similarity: 0.871
Similarity to MM178315
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7634 |
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| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM73354
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Similarity to MM73354
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8526 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+346 more
