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DocumentationIdentifier: MM166452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166452 |
| SMILES |
CNCCNC(=N)CN
|
| InChIKey |
KVAFMHVDQCEPPE-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113052
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 116.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM105662
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| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
