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DocumentationIdentifier: MM292718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292718 |
| SMILES |
N#CCC(O)C(O)CC=O
|
| InChIKey |
UPIGHODOKOYJBV-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45770
Similarity: 0.6907
Similarity to MM45770
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171932
Similarity: 0.6907
Similarity to MM171932
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292719
Similarity: 0.6768
Similarity to MM292719
| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.8072 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
