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DocumentationIdentifier: MM347640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347640 |
| SMILES |
COC(C=O)=CC=C(C)C
|
| InChIKey |
ZSQZBKFEDACKQE-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405404
Similarity: 0.6917
Similarity to MM405404
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8177 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405550
Similarity: 0.686
Similarity to MM405550
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8137 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405496
Similarity: 0.686
Similarity to MM405496
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8137 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
