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DocumentationIdentifier: MM105550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105550 |
| SMILES |
CC(O)CCOC=O
|
| InChIKey |
STZNIEMOZLXLPU-UHFFFAOYSA-N
|
| MW [Da] |
118.13
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
MM165755
Similarity: 0.8197
Similarity to MM165755
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165734
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Similarity to MM165734
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131537
Similarity: 0.7463
Similarity to MM131537
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
