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DocumentationIdentifier: MM421951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM421951 |
| SMILES |
C#CC=C(C)C(=CC)CC
|
| InChIKey |
SOSHJVIUYWXYEB-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
2.92
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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MM175559
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| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7404 |
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| Cosine metric | 0.8556 |
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| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
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|---|---|---|---|---|---|
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MM296377
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Similarity to MM296377
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8333 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+793 more
