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DocumentationIdentifier: MM77676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77676 |
| SMILES |
C=CNC(=N)C#CCNC
|
| InChIKey |
OCVZBPLDJOHKFM-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158563
Similarity: 0.9383
Similarity to MM158563
| Tanimoto metric | 0.9383 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9682 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82713
Similarity: 0.8148
Similarity to MM82713
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74045
Similarity: 0.7755
Similarity to MM74045
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8736 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
