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DocumentationIdentifier: MM339884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339884 |
| SMILES |
CCC(C=O)CCC(C)C
|
| InChIKey |
HESMMEIXCMBNNJ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198783
Similarity: 0.8929
Similarity to MM198783
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402780
Similarity: 0.8814
Similarity to MM402780
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9369 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403236
Similarity: 0.8814
Similarity to MM403236
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9369 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
