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DocumentationIdentifier: MM251212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251212 |
| SMILES |
C=C(CC=O)CNC(C)=O
|
| InChIKey |
FBLMUINORKWUPB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297624
Similarity: 0.8241
Similarity to MM297624
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299603
Similarity: 0.7398
Similarity to MM299603
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8505 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296693
Similarity: 0.7339
Similarity to MM296693
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8465 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
