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DocumentationIdentifier: MM343813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343813 |
| SMILES |
C#CC(CO)CCC=CC
|
| InChIKey |
KCGUMQAHLBSBAS-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368658
Similarity: 0.6957
Similarity to MM368658
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8205 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353373
Similarity: 0.6628
Similarity to MM353373
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167338
Similarity: 0.6628
Similarity to MM167338
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
