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DocumentationIdentifier: MM113737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113737 |
| SMILES |
C=C(C=O)OC=CC
|
| InChIKey |
GNAFWXXCJHQOIO-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM49286
Similarity: 0.8551
Similarity to MM49286
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168845
Similarity: 0.8194
Similarity to MM168845
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168790
Similarity: 0.8082
Similarity to MM168790
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
