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DocumentationIdentifier: MM352380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352380 |
| SMILES |
C=CC(=C)C(=C)C(C)C=O
|
| InChIKey |
VHISKFHAWLKWAF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161041
Similarity: 0.8
Similarity to MM161041
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352130
Similarity: 0.6957
Similarity to MM352130
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8205 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173833
Similarity: 0.6333
Similarity to MM173833
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7755 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
