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DocumentationIdentifier: MM362744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362744 |
| SMILES |
C=C(CC#CC#CC)OC
|
| InChIKey |
QVTYSVNMHGYHNH-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.56
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 | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7708 |
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| Cosine metric | 0.8711 |
| Dice metric | 0.8706 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.69 |
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|---|---|---|---|---|---|
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MM281128
Similarity: 0.7551
Similarity to MM281128
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8605 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
