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DocumentationIdentifier: MM51965
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51965 |
| SMILES |
N#CC(=CCO)OC=O
|
| InChIKey |
WWEJMRDMZQSSLT-UHFFFAOYSA-N
|
| MW [Da] |
127.1
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
MM67471
Similarity: 0.7143
Similarity to MM67471
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67719
Similarity: 0.7037
Similarity to MM67719
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52007
Similarity: 0.6577
Similarity to MM52007
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7935 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
