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DocumentationIdentifier: MM306530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306530 |
| SMILES |
N#CCNC(C#N)C=O
|
| InChIKey |
OWSUBOJSDVHWFW-UHFFFAOYSA-N
|
| MW [Da] |
123.12
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313955
Similarity: 0.863
Similarity to MM313955
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87881
Similarity: 0.8481
Similarity to MM87881
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9178 |
| Dice metric | 0.9178 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309413
Similarity: 0.8118
Similarity to MM309413
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8961 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
