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DocumentationIdentifier: MM300859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300859 |
| SMILES |
CCCCCC(C)C(C)F
|
| InChIKey |
YHIDMTNJVCIEKN-UHFFFAOYSA-N
|
| MW [Da] |
146.25
Automatically obtained from RDkit software. |
| LogP |
3.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161921
Similarity: 0.9104
Similarity to MM161921
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300863
Similarity: 0.8873
Similarity to MM300863
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9403 |
| MW: | 150.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254466
Similarity: 0.7922
Similarity to MM254466
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8841 |
| MW: | 150.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+596 more
