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DocumentationIdentifier: MM47249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47249 |
| SMILES |
CC(C)C(O)C(C)CO
|
| InChIKey |
KHVMKJQZHRKYEV-UHFFFAOYSA-N
|
| MW [Da] |
132.2
Automatically obtained from RDkit software. |
| LogP |
0.63
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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MM35325
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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171776
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| Tanimoto metric | 0.8235 |
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| Cosine metric | 0.9032 |
| Dice metric | 0.9032 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196795
Similarity: 0.7536
Similarity to MM196795
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8598 |
| Dice metric | 0.8595 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
