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DocumentationIdentifier: MM357751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357751 |
| SMILES |
C#CC#CC(F)C(O)CC
|
| InChIKey |
XBQVPJLXMZJWMA-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174571
Similarity: 0.8264
Similarity to MM174571
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163544
Similarity: 0.7769
Similarity to MM163544
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295285
Similarity: 0.7669
Similarity to MM295285
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8681 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
