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DocumentationIdentifier: MM69869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69869 |
| SMILES |
C#CC#CCNCCNC
|
| InChIKey |
BISNKHHKFRTHKU-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.57
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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MM66730
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Similarity to MM66730
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8364 |
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| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM447942
Similarity: 0.807
Similarity to MM447942
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8932 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
