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DocumentationIdentifier: MM223504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223504 |
| SMILES |
CC(=O)OC(C)=CC(C)C
|
| InChIKey |
AJSUZBXPHHWOHA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136075
Similarity: 0.8407
Similarity to MM136075
| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238001
Similarity: 0.7308
Similarity to MM238001
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237955
Similarity: 0.709
Similarity to MM237955
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8297 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
