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DocumentationIdentifier: MM91590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91590 |
| SMILES |
CC(C=O)COC=CCO
|
| InChIKey |
RTTWBWFRRGLVNM-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167281
Similarity: 0.8667
Similarity to MM167281
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56243
Similarity: 0.7867
Similarity to MM56243
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368503
Similarity: 0.7831
Similarity to MM368503
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8784 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+674 more
