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DocumentationIdentifier: MM116039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116039 |
| SMILES |
CCN(C=O)CCF
|
| InChIKey |
VQYWCAXVCKVDEY-UHFFFAOYSA-N
|
| MW [Da] |
119.14
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177961
Similarity: 0.9273
Similarity to MM177961
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.963 |
| Dice metric | 0.9623 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97961
Similarity: 0.7843
Similarity to MM97961
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 105.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108222
Similarity: 0.7164
Similarity to MM108222
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8348 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
