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DocumentationIdentifier: MM291581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291581 |
| SMILES |
CC(CNCC#N)OC=O
|
| InChIKey |
VEEWDBOGAGZZMO-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68967
Similarity: 0.8152
Similarity to MM68967
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291463
Similarity: 0.75
Similarity to MM291463
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8583 |
| Dice metric | 0.8571 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58791
Similarity: 0.7075
Similarity to MM58791
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8287 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
