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DocumentationIdentifier: MM423067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423067 |
| SMILES |
C=CC(CN)=C(C)OC=O
|
| InChIKey |
VPTRWETWSLEVSR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70395
Similarity: 0.7279
Similarity to MM70395
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385084
Similarity: 0.6584
Similarity to MM385084
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7941 |
| Dice metric | 0.794 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297286
Similarity: 0.6013
Similarity to MM297286
| Tanimoto metric | 0.6013 |
|---|---|
| Cosine metric | 0.7531 |
| Dice metric | 0.751 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
