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DocumentationIdentifier: MM405550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405550 |
| SMILES |
C#CC=CC=C(C=O)OC
|
| InChIKey |
XUQPKDYLHHDDSS-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
MM347640
Similarity: 0.686
Similarity to MM347640
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8137 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405404
Similarity: 0.6803
Similarity to MM405404
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405496
Similarity: 0.6748
Similarity to MM405496
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8058 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
