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DocumentationIdentifier: MM261171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261171 |
| SMILES |
CCCC(O)CC(C)CO
|
| InChIKey |
AHACCVCMRSHWPX-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141510
Similarity: 0.9014
Similarity to MM141510
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244625
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Similarity to MM244625
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8966 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM325688
Similarity: 0.7901
Similarity to MM325688
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8828 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+601 more
