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DocumentationIdentifier: MM307762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307762 |
| SMILES |
CC(C)=C(CC=O)C(C)C
|
| InChIKey |
HHBQAOYJIRNUQR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180337
Similarity: 0.8222
Similarity to MM180337
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306211
Similarity: 0.6727
Similarity to MM306211
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8043 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197797
Similarity: 0.6604
Similarity to MM197797
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7957 |
| Dice metric | 0.7955 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+614 more
