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DocumentationIdentifier: MM245872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245872 |
| SMILES |
C=CC(=C)CN(C)C(C)=O
|
| InChIKey |
MLZXTGRRRWTRFC-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
MM329817
Similarity: 0.7941
Similarity to MM329817
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8852 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133760
Similarity: 0.7615
Similarity to MM133760
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8646 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275378
Similarity: 0.6993
Similarity to MM275378
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.823 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
