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DocumentationIdentifier: MM404977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404977 |
| SMILES |
CC=COCC(C=O)OC
|
| InChIKey |
NMCMNEQSKWHBON-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54283
Similarity: 0.8247
Similarity to MM54283
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368250
Similarity: 0.7238
Similarity to MM368250
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8398 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368254
Similarity: 0.717
Similarity to MM368254
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8352 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
