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DocumentationIdentifier: MM107305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107305 |
| SMILES |
CCCC(=O)CCF
|
| InChIKey |
XFHLJPNWVPBXPV-UHFFFAOYSA-N
|
| MW [Da] |
118.15
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
MM156087
Similarity: 0.8889
Similarity to MM156087
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36290
Similarity: 0.8077
Similarity to MM36290
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8938 |
| Dice metric | 0.8936 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26349
Similarity: 0.75
Similarity to MM26349
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
