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DocumentationIdentifier: MM97367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97367 |
| SMILES |
CNCCC(N)=O
|
| InChIKey |
FFJLSBFLTYYWII-UHFFFAOYSA-N
|
| MW [Da] |
102.14
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105624
Similarity: 0.8
Similarity to MM105624
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105718
Similarity: 0.7843
Similarity to MM105718
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113021
Similarity: 0.7843
Similarity to MM113021
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
