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DocumentationIdentifier: MM112861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112861 |
| SMILES |
C=CCCC(F)C#N
|
| InChIKey |
LOOYHBZWNJZTOL-UHFFFAOYSA-N
|
| MW [Da] |
113.14
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167257
Similarity: 0.8143
Similarity to MM167257
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167258
Similarity: 0.7917
Similarity to MM167258
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368179
Similarity: 0.7703
Similarity to MM368179
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
