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DocumentationIdentifier: MM358059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358059 |
| SMILES |
C#CC(C)C(C)C#CC#N
|
| InChIKey |
AMYZTNSSWTXIDJ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.42
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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MM359237
Similarity: 0.8378
Similarity to MM359237
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9118 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
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| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163503
Similarity: 0.8333
Similarity to MM163503
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
