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DocumentationIdentifier: MM75652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75652 |
| SMILES |
CCOC(CC#N)C(N)=O
|
| InChIKey |
JVIUSSPPXCYFFG-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52251
Similarity: 0.8182
Similarity to MM52251
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75690
Similarity: 0.6879
Similarity to MM75690
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8151 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377580
Similarity: 0.6593
Similarity to MM377580
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7947 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
