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DocumentationIdentifier: MM316462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316462 |
| SMILES |
COC(=O)CCC(C)OC
|
| InChIKey |
NSYLEMQJJNJDIA-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43781
Similarity: 0.8333
Similarity to MM43781
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276161
Similarity: 0.7232
Similarity to MM276161
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8394 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250877
Similarity: 0.708
Similarity to MM250877
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.829 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
