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DocumentationIdentifier: MM368499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368499 |
| SMILES |
C=CC=COCC(C)C=O
|
| InChIKey |
OEHDNDIXHWDRDJ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167281
Similarity: 0.8784
Similarity to MM167281
| Tanimoto metric | 0.8784 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9353 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368503
Similarity: 0.7927
Similarity to MM368503
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8844 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91590
Similarity: 0.7738
Similarity to MM91590
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8725 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
