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DocumentationIdentifier: MM300093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300093 |
| SMILES |
C=C(C#CC)N(C)C(C)=N
|
| InChIKey |
KVNLYOKLEDZTCT-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM59151
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| Tanimoto metric | 0.6821 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.811 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6621 |
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| Cosine metric | 0.8137 |
| Dice metric | 0.7967 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135942
Similarity: 0.6552
Similarity to MM135942
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.7917 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
