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DocumentationIdentifier: MM351099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351099 |
| SMILES |
C=CCCC(=O)C(C)C=C
|
| InChIKey |
LHDNZPVNYIHDNE-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
MM173239
Similarity: 0.9059
Similarity to MM173239
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269193
Similarity: 0.8495
Similarity to MM269193
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9186 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410163
Similarity: 0.7938
Similarity to MM410163
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8851 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
