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DocumentationIdentifier: MM328199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328199 |
| SMILES |
CCC=CC=C(C)C(N)=O
|
| InChIKey |
GJOKVXGJXOOPCN-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317448
Similarity: 0.8687
Similarity to MM317448
| Tanimoto metric | 0.8687 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9297 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327788
Similarity: 0.819
Similarity to MM327788
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.9005 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310063
Similarity: 0.789
Similarity to MM310063
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8821 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
