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DocumentationIdentifier: MM356893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356893 |
| SMILES |
C=C(C)C(O)C=CCC=O
|
| InChIKey |
GPLMKDKGMDTLDS-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356862
Similarity: 0.7547
Similarity to MM356862
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8602 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350623
Similarity: 0.7383
Similarity to MM350623
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8495 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319975
Similarity: 0.7117
Similarity to MM319975
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8316 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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