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DocumentationIdentifier: MM298849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298849 |
| SMILES |
C=C(CC=O)C(=C)C(C)C
|
| InChIKey |
OLKQHSJVYIPWDK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352130
Similarity: 0.8103
Similarity to MM352130
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8952 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173670
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| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294107
Similarity: 0.6939
Similarity to MM294107
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8193 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
