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DocumentationIdentifier: MM239431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239431 |
| SMILES |
CCC(C)(O)CCOC=O
|
| InChIKey |
ZRAIYLADBMILMJ-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
MM131537
Similarity: 0.7528
Similarity to MM131537
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301155
Similarity: 0.6602
Similarity to MM301155
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7953 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165720
Similarity: 0.6404
Similarity to MM165720
| Tanimoto metric | 0.6404 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7808 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
