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DocumentationIdentifier: MM48773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48773 |
| SMILES |
C#CC(=O)NCCC#N
|
| InChIKey |
WVCKKHBUSFWQKA-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36569
Similarity: 0.775
Similarity to MM36569
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167048
Similarity: 0.6813
Similarity to MM167048
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8105 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167100
Similarity: 0.6813
Similarity to MM167100
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8105 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
