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DocumentationIdentifier: MM358949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358949 |
| SMILES |
C#CC#CC(=C)COC=C
|
| InChIKey |
OKSOUHNIPCCSKO-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.34
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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MM157565
Similarity: 0.8421
Similarity to MM157565
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158540
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| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358802
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Similarity to MM358802
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8556 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
