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DocumentationIdentifier: MM313881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313881 |
| SMILES |
C=CC(C=C)(C=C)C(C)=O
|
| InChIKey |
JRIAGCAONZQZBJ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM140094
Similarity: 0.9494
Similarity to MM140094
| Tanimoto metric | 0.9494 |
|---|---|
| Cosine metric | 0.9744 |
| Dice metric | 0.974 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313795
Similarity: 0.7009
Similarity to MM313795
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8242 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313883
Similarity: 0.7009
Similarity to MM313883
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8242 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
