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DocumentationIdentifier: MM455522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455522 |
| SMILES |
C=COC=CC#CC=CC
|
| InChIKey |
KAGJAJOBRCNPGT-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216227
Similarity: 0.8793
Similarity to MM216227
| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215848
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| Tanimoto metric | 0.8276 |
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| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM457984
Similarity: 0.7742
Similarity to MM457984
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8727 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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