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DocumentationIdentifier: MM233718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233718 |
| SMILES |
CCCC(C)(O)CCCO
|
| InChIKey |
AJZGLFMCYYLGCC-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138084
Similarity: 0.8873
Similarity to MM138084
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227752
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Similarity to MM227752
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9079 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM441774
Similarity: 0.7143
Similarity to MM441774
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8333 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
