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DocumentationIdentifier: MM373444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373444 |
| SMILES |
CCCC=COC(=O)CO
|
| InChIKey |
PLDONUNVZIDFDK-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168583
Similarity: 0.8851
Similarity to MM168583
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92374
Similarity: 0.8144
Similarity to MM92374
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8977 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373446
Similarity: 0.7938
Similarity to MM373446
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
