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DocumentationIdentifier: MM178003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178003 |
| SMILES |
N#CCN(C=O)CCF
|
| InChIKey |
IVGPFKYGXVTFCC-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75658
Similarity: 0.7282
Similarity to MM75658
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51317
Similarity: 0.7013
Similarity to MM51317
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8244 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23680
Similarity: 0.6933
Similarity to MM23680
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8189 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
