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DocumentationIdentifier: MM144939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144939 |
| SMILES |
CCC(=N)NCC(N)=O
|
| InChIKey |
QACPZLGEYWCLNE-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM103466
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| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255021
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| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113050
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Similarity to MM113050
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
