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DocumentationIdentifier: MM149705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149705 |
| SMILES |
CCC(CC)OC(C)C
|
| InChIKey |
ZYCYGNVKDLSNMY-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325964
Similarity: 0.9231
Similarity to MM325964
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115936
Similarity: 0.875
Similarity to MM115936
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 116.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198582
Similarity: 0.8462
Similarity to MM198582
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9167 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+811 more
