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DocumentationIdentifier: MM368773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368773 |
| SMILES |
C=CC=CC#CC(=O)OC
|
| InChIKey |
ISHLDKINYDCJLN-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170823
Similarity: 0.8652
Similarity to MM170823
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368800
Similarity: 0.7938
Similarity to MM368800
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8851 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93643
Similarity: 0.7778
Similarity to MM93643
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
