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DocumentationIdentifier: MM375793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375793 |
| SMILES |
CCCC#CCC(F)C=O
|
| InChIKey |
AXITUGNTFFSDJU-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169138
Similarity: 0.9444
Similarity to MM169138
| Tanimoto metric | 0.9444 |
|---|---|
| Cosine metric | 0.9718 |
| Dice metric | 0.9714 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375873
Similarity: 0.8718
Similarity to MM375873
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9315 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113785
Similarity: 0.8333
Similarity to MM113785
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
