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DocumentationIdentifier: MM117016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM117016 |
| SMILES |
CCC(C=O)C(=N)N
|
| InChIKey |
GYVZTNSMNWBJGN-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181030
Similarity: 0.7895
Similarity to MM181030
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180004
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275244
Similarity: 0.6637
Similarity to MM275244
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.8147 |
| Dice metric | 0.7979 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
