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DocumentationIdentifier: MM270526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270526 |
| SMILES |
C=C(C=O)C(C)=CC(C)C
|
| InChIKey |
SCKMIVJWAUOOJV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175578
Similarity: 0.8269
Similarity to MM175578
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360895
Similarity: 0.7699
Similarity to MM360895
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.87 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360891
Similarity: 0.7227
Similarity to MM360891
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.839 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
