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DocumentationIdentifier: MM368179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368179 |
| SMILES |
CCC=CCCC(F)C#N
|
| InChIKey |
ORCGTACWAZLXQJ-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
2.59
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: 0.9459
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| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM260460
Similarity: 0.8333
Similarity to MM260460
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9098 |
| Dice metric | 0.9091 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368439
Similarity: 0.8333
Similarity to MM368439
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9098 |
| Dice metric | 0.9091 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
