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DocumentationIdentifier: MM201267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201267 |
| SMILES |
C=CC#CC(C=O)CC
|
| InChIKey |
HOLHNIYNDBNHNS-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.4
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 | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8957 |
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| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
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Total active interactions
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MM380071
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|---|---|
| Cosine metric | 0.8957 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+815 more
