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DocumentationIdentifier: MM174689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174689 |
| SMILES |
C=CC(O)C(=C)C#CC
|
| InChIKey |
KPWUHEQCGLZBLL-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359062
Similarity: 0.8938
Similarity to MM359062
| Tanimoto metric | 0.8938 |
|---|---|
| Cosine metric | 0.9454 |
| Dice metric | 0.9439 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358948
Similarity: 0.8632
Similarity to MM358948
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359128
Similarity: 0.8279
Similarity to MM359128
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
