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DocumentationIdentifier: MM251732
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251732 |
| SMILES |
CC#CC(=N)NCC(C)F
|
| InChIKey |
IPTZFEFGXITQOQ-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.93
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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| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7248 |
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| Cosine metric | 0.8513 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.99 |
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|---|---|---|---|---|---|
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Total active interactions
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MM318595
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| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
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| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+383 more
