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DocumentationIdentifier: MM132361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132361 |
| SMILES |
CCCC(C)(F)CC#N
|
| InChIKey |
FKZRNIXQBFZOLW-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243149
Similarity: 0.7196
Similarity to MM243149
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103000
Similarity: 0.7143
Similarity to MM103000
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM40389
Similarity: 0.6627
Similarity to MM40389
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7971 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
