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DocumentationIdentifier: MM178016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178016 |
| SMILES |
C#CCC(C=O)CCF
|
| InChIKey |
JKQJLBMLQQMGKC-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388471
Similarity: 0.7978
Similarity to MM388471
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243185
Similarity: 0.7474
Similarity to MM243185
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8554 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376929
Similarity: 0.732
Similarity to MM376929
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
