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DocumentationIdentifier: MM283297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283297 |
| SMILES |
CC#CC(=O)C#CCCC
|
| InChIKey |
GTDALXIGHMHKRG-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.38
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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MM170715
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| Tanimoto metric | 0.9206 |
|---|---|
| Cosine metric | 0.9595 |
| Dice metric | 0.9587 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8657 |
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| Cosine metric | 0.928 |
| Dice metric | 0.928 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158743
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Similarity to MM158743
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
