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DocumentationIdentifier: MM91390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91390 |
| SMILES |
C#CC(=O)NCCCC=O
|
| InChIKey |
CSKCBULBTMEKLJ-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365992
Similarity: 0.828
Similarity to MM365992
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9059 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365990
Similarity: 0.8211
Similarity to MM365990
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9017 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366120
Similarity: 0.7835
Similarity to MM366120
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8786 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
