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DocumentationIdentifier: MM198342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198342 |
| SMILES |
C=CC(OC)=C(C)CO
|
| InChIKey |
NQTZKHLKPOBFLM-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM401699
Similarity: 0.8839
Similarity to MM401699
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422832
Similarity: 0.8049
Similarity to MM422832
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112405
Similarity: 0.7071
Similarity to MM112405
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
