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DocumentationIdentifier: MM319951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319951 |
| SMILES |
C=C(C#N)CCC(=C)C#N
|
| InChIKey |
DAWMDBHUAGOXDF-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145083
Similarity: 0.9683
Similarity to MM145083
| Tanimoto metric | 0.9683 |
|---|---|
| Cosine metric | 0.984 |
| Dice metric | 0.9839 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319346
Similarity: 0.7821
Similarity to MM319346
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8777 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113303
Similarity: 0.7778
Similarity to MM113303
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
