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DocumentationIdentifier: MM287863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287863 |
| SMILES |
CCC#CCCOC(C)=O
|
| InChIKey |
RNUBXSIPDSOAFM-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153073
Similarity: 0.9189
Similarity to MM153073
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287904
Similarity: 0.8095
Similarity to MM287904
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8947 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287905
Similarity: 0.7816
Similarity to MM287905
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8774 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
