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DocumentationIdentifier: MM90709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90709 |
| SMILES |
CCC(N)CC(C)C(N)=O
|
| InChIKey |
RPHZCEPVHSDXJF-UHFFFAOYSA-N
|
| MW [Da] |
144.22
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
MM133618
Similarity: 0.7949
Similarity to MM133618
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85901
Similarity: 0.7132
Similarity to MM85901
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8326 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222544
Similarity: 0.6788
Similarity to MM222544
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8087 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
