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DocumentationIdentifier: MM378660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378660 |
| SMILES |
C=CCC(C#N)C(=C)C#N
|
| InChIKey |
ZLWJNBRUIRYNFE-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378664
Similarity: 0.7521
Similarity to MM378664
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8585 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172756
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| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM330481
Similarity: 0.6614
Similarity to MM330481
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7962 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
