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DocumentationIdentifier: MM296711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296711 |
| SMILES |
CC(C)C(O)C(C)OC=O
|
| InChIKey |
HDPOMDLRIGHQCN-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49978
Similarity: 0.7632
Similarity to MM49978
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306691
Similarity: 0.7385
Similarity to MM306691
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8496 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135135
Similarity: 0.614
Similarity to MM135135
| Tanimoto metric | 0.614 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7609 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
