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DocumentationIdentifier: MM377444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377444 |
| SMILES |
CCC(=O)N(CC)CCO
|
| InChIKey |
WQTQMIJQVMAFIP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172430
Similarity: 0.8857
Similarity to MM172430
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75632
Similarity: 0.7913
Similarity to MM75632
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.8835 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292848
Similarity: 0.7623
Similarity to MM292848
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8651 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
