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DocumentationIdentifier: MM179854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179854 |
| SMILES |
C=C(C)C(CC)CC=O
|
| InChIKey |
SKIWEOLPUIYUTK-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305424
Similarity: 0.9437
Similarity to MM305424
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34448
Similarity: 0.8657
Similarity to MM34448
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179999
Similarity: 0.7654
Similarity to MM179999
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8671 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+699 more
