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DocumentationIdentifier: MM156898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156898 |
| SMILES |
CC=COC(=O)CCC
|
| InChIKey |
VZRLITNUXBWTTM-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107396
Similarity: 0.7805
Similarity to MM107396
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113688
Similarity: 0.7805
Similarity to MM113688
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168582
Similarity: 0.7444
Similarity to MM168582
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8535 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
