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DocumentationIdentifier: MM376771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376771 |
| SMILES |
C=CCC(C=C)C(C)C=O
|
| InChIKey |
YZGXWFLIEGTTOF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376769
Similarity: 0.7957
Similarity to MM376769
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8862 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376779
Similarity: 0.7755
Similarity to MM376779
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8736 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196977
Similarity: 0.764
Similarity to MM196977
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8662 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+578 more
