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DocumentationIdentifier: MM113160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113160 |
| SMILES |
O=CNCC(=O)CO
|
| InChIKey |
XMYKWZWIHLDWFS-UHFFFAOYSA-N
|
| MW [Da] |
117.1
Automatically obtained from RDkit software. |
| LogP |
-1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144860
Similarity: 0.747
Similarity to MM144860
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142306
Similarity: 0.7126
Similarity to MM142306
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8322 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97408
Similarity: 0.6774
Similarity to MM97408
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
