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DocumentationIdentifier: MM94840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94840 |
| SMILES |
C#CCN(C=O)C(=C)C=O
|
| InChIKey |
JEYASXOUMPGYAV-UHFFFAOYSA-N
|
| MW [Da] |
137.14
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
MM82583
Similarity: 0.6875
Similarity to MM82583
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8148 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94801
Similarity: 0.6871
Similarity to MM94801
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.8145 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94800
Similarity: 0.6121
Similarity to MM94800
| Tanimoto metric | 0.6121 |
|---|---|
| Cosine metric | 0.7594 |
| Dice metric | 0.7594 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
