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DocumentationIdentifier: MM354979
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354979 |
| SMILES |
C=C(OC=CC)C(C)=CC
|
| InChIKey |
XAAKGVAYIWNERR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174934
Similarity: 0.8624
Similarity to MM174934
| Tanimoto metric | 0.8624 |
|---|---|
| Cosine metric | 0.9286 |
| Dice metric | 0.9261 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174883
Similarity: 0.6829
Similarity to MM174883
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8127 |
| Dice metric | 0.8116 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112330
Similarity: 0.6789
Similarity to MM112330
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8087 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
