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DocumentationIdentifier: MM42003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42003 |
| SMILES |
C#CCNCCC(=O)CC
|
| InChIKey |
LRTWRVSTYWLKNQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152874
Similarity: 0.8354
Similarity to MM152874
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166359
Similarity: 0.7975
Similarity to MM166359
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364495
Similarity: 0.7778
Similarity to MM364495
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.875 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
