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DocumentationIdentifier: MM341943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341943 |
| SMILES |
N#CCCN(C=O)CC=O
|
| InChIKey |
XPKVEIOBNAPXJY-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24653
Similarity: 0.7865
Similarity to MM24653
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23631
Similarity: 0.6604
Similarity to MM23631
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7955 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24234
Similarity: 0.6486
Similarity to MM24234
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7872 |
| Dice metric | 0.7869 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
