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DocumentationIdentifier: MM388845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388845 |
| SMILES |
C=CC(C(=C)C)N(C)C=O
|
| InChIKey |
LWKNXRRCWKOHGQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160272
Similarity: 0.814
Similarity to MM160272
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349570
Similarity: 0.6522
Similarity to MM349570
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7895 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293871
Similarity: 0.6259
Similarity to MM293871
| Tanimoto metric | 0.6259 |
|---|---|
| Cosine metric | 0.7723 |
| Dice metric | 0.7699 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
