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DocumentationIdentifier: MM72580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72580 |
| SMILES |
CCNCCC(=O)OC
|
| InChIKey |
KDGSVMQRTUAIDO-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75917
Similarity: 0.9277
Similarity to MM75917
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258131
Similarity: 0.875
Similarity to MM258131
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60558
Similarity: 0.8652
Similarity to MM60558
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
