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DocumentationIdentifier: MM437624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437624 |
| SMILES |
CCCCC=C(C#N)CC
|
| InChIKey |
QVSAXOHUDZVZJK-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
3.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201689
Similarity: 0.8816
Similarity to MM201689
| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9371 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438325
Similarity: 0.8519
Similarity to MM438325
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9201 |
| Dice metric | 0.92 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171137
Similarity: 0.7763
Similarity to MM171137
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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