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DocumentationIdentifier: MM293814
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293814 |
| SMILES |
CCCC#CC(N)C(C)O
|
| InChIKey |
GEBIIMLQLZMBMG-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36347
Similarity: 0.8148
Similarity to MM36347
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8984 |
| Dice metric | 0.898 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38687
Similarity: 0.8
Similarity to MM38687
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39476
Similarity: 0.7895
Similarity to MM39476
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
