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DocumentationIdentifier: MM329055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329055 |
| SMILES |
C#CC(=C)CC(CO)CF
|
| InChIKey |
MPZWWHJVCICLKR-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360552
Similarity: 0.6833
Similarity to MM360552
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8119 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142171
Similarity: 0.6833
Similarity to MM142171
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8119 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329053
Similarity: 0.6406
Similarity to MM329053
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.789 |
| Dice metric | 0.781 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
