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DocumentationIdentifier: MM138099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138099 |
| SMILES |
CCCCC(C)(F)CO
|
| InChIKey |
OKHRYHIXUNLSPK-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM227758
Similarity: 0.9091
Similarity to MM227758
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239204
Similarity: 0.8989
Similarity to MM239204
| Tanimoto metric | 0.8989 |
|---|---|
| Cosine metric | 0.9481 |
| Dice metric | 0.9467 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239205
Similarity: 0.8989
Similarity to MM239205
| Tanimoto metric | 0.8989 |
|---|---|
| Cosine metric | 0.9481 |
| Dice metric | 0.9467 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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