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DocumentationIdentifier: MM271565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271565 |
| SMILES |
C#CC(=O)C=CC(N)=O
|
| InChIKey |
FVBHSZPNFHMBPZ-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM322382
Similarity: 0.7565
Similarity to MM322382
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37116
Similarity: 0.6322
Similarity to MM37116
| Tanimoto metric | 0.6322 |
|---|---|
| Cosine metric | 0.7951 |
| Dice metric | 0.7746 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64007
Similarity: 0.6019
Similarity to MM64007
| Tanimoto metric | 0.6019 |
|---|---|
| Cosine metric | 0.7526 |
| Dice metric | 0.7515 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
