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DocumentationIdentifier: MM375007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375007 |
| SMILES |
C=CC(=O)OC=CC=CC
|
| InChIKey |
JJUJPGPVMOTWAB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113741
Similarity: 0.7176
Similarity to MM113741
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288903
Similarity: 0.6869
Similarity to MM288903
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8144 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288919
Similarity: 0.6869
Similarity to MM288919
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8144 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
