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DocumentationIdentifier: MM114474
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114474 |
| SMILES |
CCC#CC(C)NC
|
| InChIKey |
SOCHXRPPLZZNKM-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.01
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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MM63900
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Similarity to MM63900
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170469
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Similarity to MM170469
| Tanimoto metric | 0.8197 |
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| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170515
Similarity: 0.8065
Similarity to MM170515
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+747 more
