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DocumentationIdentifier: MM262162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262162 |
| SMILES |
C#CCC(C)OC(=O)CO
|
| InChIKey |
SFKFYQILZPBCHM-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135329
Similarity: 0.7909
Similarity to MM135329
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328757
Similarity: 0.7227
Similarity to MM328757
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.839 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM66875
Similarity: 0.6912
Similarity to MM66875
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8174 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
