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DocumentationIdentifier: MM295044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295044 |
| SMILES |
CCNCC=C(F)C(N)=O
|
| InChIKey |
KBRKUBVCUBHJCX-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51718
Similarity: 0.7424
Similarity to MM51718
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8522 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248063
Similarity: 0.5976
Similarity to MM248063
| Tanimoto metric | 0.5976 |
|---|---|
| Cosine metric | 0.757 |
| Dice metric | 0.7481 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134366
Similarity: 0.5923
Similarity to MM134366
| Tanimoto metric | 0.5923 |
|---|---|
| Cosine metric | 0.7459 |
| Dice metric | 0.744 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
