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DocumentationIdentifier: MM274454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274454 |
| SMILES |
C=CC(=O)NCC=CCO
|
| InChIKey |
YHYBRKXZQAFIAZ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
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
MM304995
Similarity: 0.8025
Similarity to MM304995
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304677
Similarity: 0.7045
Similarity to MM304677
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8267 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274506
Similarity: 0.6915
Similarity to MM274506
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8176 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
