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DocumentationIdentifier: MM69472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69472 |
| SMILES |
N#CCOCC(=O)CCO
|
| InChIKey |
NSDXVNUBPQMEAO-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91231
Similarity: 0.7396
Similarity to MM91231
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8503 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69593
Similarity: 0.7228
Similarity to MM69593
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8391 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69471
Similarity: 0.7228
Similarity to MM69471
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8391 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
