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DocumentationIdentifier: MM365990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365990 |
| SMILES |
C#CC(=O)NCCCCC
|
| InChIKey |
UEMSQVOBVWQGPQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.93
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: 0.837
Similarity to MM365992
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9112 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91390
Similarity: 0.8211
Similarity to MM91390
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9017 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366120
Similarity: 0.7917
Similarity to MM366120
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.8837 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+568 more
