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DocumentationIdentifier: MM15842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15842 |
| SMILES |
N#CCOC(C=O)CC=O
|
| InChIKey |
GAMCFEUQDJTSEU-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54291
Similarity: 0.798
Similarity to MM54291
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155987
Similarity: 0.7273
Similarity to MM155987
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15859
Similarity: 0.7264
Similarity to MM15859
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8415 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
