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DocumentationIdentifier: MM348324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348324 |
| SMILES |
CCC(O)C(C)C(C)C=O
|
| InChIKey |
UBOCJHPISNACFP-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM47255
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| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387977
Similarity: 0.7456
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| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8543 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244764
Similarity: 0.7091
Similarity to MM244764
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8298 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
