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DocumentationIdentifier: MM259273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259273 |
| SMILES |
C=C(C)C=CCC(=O)CC
|
| InChIKey |
QBIVXBZVYRIQLK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168624
Similarity: 0.7875
Similarity to MM168624
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260121
Similarity: 0.7556
Similarity to MM260121
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8608 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260188
Similarity: 0.7556
Similarity to MM260188
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8608 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
