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DocumentationIdentifier: MM126681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126681 |
| SMILES |
C=CCC=CCC#N
|
| InChIKey |
WBSMPAAFNGXUDE-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM452747
Similarity: 0.9
Similarity to MM452747
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56816
Similarity: 0.9
Similarity to MM56816
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100905
Similarity: 0.7778
Similarity to MM100905
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 95.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+553 more
