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DocumentationIdentifier: MM375771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375771 |
| SMILES |
CCCC#CCC(C)C#N
|
| InChIKey |
WQCGSNKCNMBIHQ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169124
Similarity: 0.9643
Similarity to MM169124
| Tanimoto metric | 0.9643 |
|---|---|
| Cosine metric | 0.982 |
| Dice metric | 0.9818 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375855
Similarity: 0.9
Similarity to MM375855
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9474 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113779
Similarity: 0.8571
Similarity to MM113779
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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