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DocumentationIdentifier: MM404242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404242 |
| SMILES |
N#CCCCC(C#N)C=O
|
| InChIKey |
VZZCDVIJGBHXAY-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404240
Similarity: 0.8933
Similarity to MM404240
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340173
Similarity: 0.8933
Similarity to MM340173
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315970
Similarity: 0.8267
Similarity to MM315970
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9051 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
