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DocumentationIdentifier: MM371915
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371915 |
| SMILES |
C=CCC#CC=C(F)C#N
|
| InChIKey |
XBMXCXRYFJNCMV-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171678
Similarity: 0.8876
Similarity to MM171678
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371930
Similarity: 0.798
Similarity to MM371930
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8876 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371870
Similarity: 0.7822
Similarity to MM371870
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8778 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
