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DocumentationIdentifier: MM112713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112713 |
| SMILES |
C=COCC(C)OC
|
| InChIKey |
AXKVQXODWGELSA-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155972
Similarity: 0.8947
Similarity to MM155972
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107225
Similarity: 0.8545
Similarity to MM107225
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9216 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155794
Similarity: 0.7969
Similarity to MM155794
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+908 more
