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DocumentationIdentifier: MM297758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297758 |
| SMILES |
C=CCC(=O)C(C)C(=C)C
|
| InChIKey |
WGEGPQHGTRPUJX-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
MM160491
Similarity: 0.8534
Similarity to MM160491
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269407
Similarity: 0.8033
Similarity to MM269407
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8909 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254040
Similarity: 0.7846
Similarity to MM254040
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8793 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+530 more
