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DocumentationIdentifier: MM66875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66875 |
| SMILES |
C#CCC(CO)OC(C)=O
|
| InChIKey |
WXZRQHWSJVEXAP-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: 0.725
Similarity to MM135329
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262162
Similarity: 0.6912
Similarity to MM262162
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8174 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328765
Similarity: 0.6643
Similarity to MM328765
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7983 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
