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DocumentationIdentifier: MM399666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM399666 |
| SMILES |
CCCCCC(C)C(C)O
|
| InChIKey |
WQADSKJNOTZWML-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM398904
Similarity: 0.9104
Similarity to MM398904
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313832
Similarity: 0.8873
Similarity to MM313832
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9403 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393578
Similarity: 0.7922
Similarity to MM393578
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8841 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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