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DocumentationIdentifier: MM152626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152626 |
| SMILES |
O=C(O)CCCCCF
|
| InChIKey |
QDVPGZOKFHEOIW-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287034
Similarity: 0.8286
Similarity to MM287034
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9063 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257726
Similarity: 0.7654
Similarity to MM257726
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Caproic Acid
Similarity: 0.7419
Similarity to Caproic Acid
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
