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DocumentationIdentifier: MM288982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288982 |
| SMILES |
C=CC#CC=CCC(C)=O
|
| InChIKey |
KCLLWBWMJYILEB-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153870
Similarity: 0.9265
Similarity to MM153870
| Tanimoto metric | 0.9265 |
|---|---|
| Cosine metric | 0.9625 |
| Dice metric | 0.9618 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288959
Similarity: 0.8514
Similarity to MM288959
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9197 |
| Dice metric | 0.9197 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289001
Similarity: 0.8077
Similarity to MM289001
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8942 |
| Dice metric | 0.8936 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
