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DocumentationIdentifier: MM37025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37025 |
| SMILES |
CCC=CC(=O)CO
|
| InChIKey |
IQPSGXTUSZUIMJ-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM322254
Similarity: 0.8235
Similarity to MM322254
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49573
Similarity: 0.8235
Similarity to MM49573
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26669
Similarity: 0.8214
Similarity to MM26669
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+686 more
