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DocumentationIdentifier: MM287045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287045 |
| SMILES |
CC(=O)CCCOCCO
|
| InChIKey |
GYNVDXAXUOFHLS-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152634
Similarity: 0.8824
Similarity to MM152634
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68397
Similarity: 0.7895
Similarity to MM68397
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8824 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68398
Similarity: 0.7531
Similarity to MM68398
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8592 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
