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DocumentationIdentifier: MM318811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318811 |
| SMILES |
CNC(=N)CNC(=N)CO
|
| InChIKey |
WGRPEWLBSLHEKH-UHFFFAOYSA-N
|
| MW [Da] |
144.18
Automatically obtained from RDkit software. |
| LogP |
-1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144937
Similarity: 0.8252
Similarity to MM144937
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144867
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Similarity to MM144867
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251111
Similarity: 0.6935
Similarity to MM251111
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.819 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
