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DocumentationIdentifier: MM308134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308134 |
| SMILES |
CCC(O)(CC)COC=O
|
| InChIKey |
IHVPMINOMWUAGJ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308138
Similarity: 0.6935
Similarity to MM308138
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.819 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59054
Similarity: 0.6589
Similarity to MM59054
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7944 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228041
Similarity: 0.6343
Similarity to MM228041
| Tanimoto metric | 0.6343 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7763 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
