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DocumentationIdentifier: MM149672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149672 |
| SMILES |
CCC(CC)CC(C)F
|
| InChIKey |
KYVQSZWCUWOVBY-UHFFFAOYSA-N
|
| MW [Da] |
132.22
Automatically obtained from RDkit software. |
| LogP |
3.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104123
Similarity: 0.8846
Similarity to MM104123
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325695
Similarity: 0.8125
Similarity to MM325695
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135041
Similarity: 0.7833
Similarity to MM135041
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8789 |
| Dice metric | 0.8785 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
