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DocumentationIdentifier: MM423803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423803 |
| SMILES |
C#CC(C=C)=C(C)NC=O
|
| InChIKey |
JYHKOENGAFMDGL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51182
Similarity: 0.7214
Similarity to MM51182
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175908
Similarity: 0.6714
Similarity to MM175908
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8034 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423551
Similarity: 0.6225
Similarity to MM423551
| Tanimoto metric | 0.6225 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7673 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
