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DocumentationIdentifier: MM279588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279588 |
| SMILES |
CC#CC(=O)NCCCC
|
| InChIKey |
WSPFZUJCUPSRRB-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
MM69987
Similarity: 0.7736
Similarity to MM69987
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8723 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72916
Similarity: 0.7619
Similarity to MM72916
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8649 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358712
Similarity: 0.7547
Similarity to MM358712
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8602 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
