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DocumentationIdentifier: MM282701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282701 |
| SMILES |
C=CCC(F)C#CCC=O
|
| InChIKey |
YFJYGIWVIXRXGT-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170492
Similarity: 0.7528
Similarity to MM170492
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282665
Similarity: 0.7474
Similarity to MM282665
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8554 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282700
Similarity: 0.732
Similarity to MM282700
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8452 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
