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DocumentationIdentifier: MM272105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272105 |
| SMILES |
C=CCC(C=O)CC(C)C
|
| InChIKey |
BJFSILDDLFWLMM-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177973
Similarity: 0.8421
Similarity to MM177973
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261615
Similarity: 0.8049
Similarity to MM261615
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8919 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387265
Similarity: 0.7711
Similarity to MM387265
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8707 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+585 more
