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DocumentationIdentifier: MM314007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314007 |
| SMILES |
C#CCC(OC)C(=O)O
|
| InChIKey |
PCYHSAYJICLZNI-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377727
Similarity: 0.7698
Similarity to MM377727
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34496
Similarity: 0.6729
Similarity to MM34496
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8045 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50158
Similarity: 0.6512
Similarity to MM50158
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7887 |
| Dice metric | 0.7887 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
