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DocumentationIdentifier: MM179927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179927 |
| SMILES |
C#CCC(OC)C(C)=O
|
| InChIKey |
JNOJBKCXLWBHFI-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378012
Similarity: 0.808
Similarity to MM378012
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377723
Similarity: 0.7014
Similarity to MM377723
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8375 |
| Dice metric | 0.8245 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117002
Similarity: 0.6832
Similarity to MM117002
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
