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DocumentationIdentifier: MM172430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172430 |
| SMILES |
CCC(=O)N(C)CCO
|
| InChIKey |
RKJFTBDHQJNVGT-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377444
Similarity: 0.8857
Similarity to MM377444
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292848
Similarity: 0.8455
Similarity to MM292848
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9195 |
| Dice metric | 0.9163 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71739
Similarity: 0.8087
Similarity to MM71739
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+686 more
