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DocumentationIdentifier: MM73772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73772 |
| SMILES |
C#CC#CCC(=O)C(C)O
|
| InChIKey |
FLKGECMOKYGTQW-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163093
Similarity: 0.8558
Similarity to MM163093
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305447
Similarity: 0.7607
Similarity to MM305447
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8641 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305494
Similarity: 0.7542
Similarity to MM305494
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8599 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
