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DocumentationIdentifier: MM263557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263557 |
| SMILES |
C#CCC(=C)OC(=O)CO
|
| InChIKey |
XOTDYRBTWAXOIT-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142667
Similarity: 0.8145
Similarity to MM142667
| Tanimoto metric | 0.8145 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8978 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135683
Similarity: 0.7742
Similarity to MM135683
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246367
Similarity: 0.6986
Similarity to MM246367
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8226 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
