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DocumentationIdentifier: MM245815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245815 |
| SMILES |
C=C(C=O)CC(C)C(C)=O
|
| InChIKey |
DHSKLQOODZWTQA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133693
Similarity: 0.7928
Similarity to MM133693
| Tanimoto metric | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329636
Similarity: 0.7863
Similarity to MM329636
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8804 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245581
Similarity: 0.752
Similarity to MM245581
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8584 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
