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DocumentationIdentifier: MM229200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229200 |
| SMILES |
C#CC(C)(C=C)NC(C)C
|
| InChIKey |
QGJDMCZKNPDECX-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139599
Similarity: 0.8835
Similarity to MM139599
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9399 |
| Dice metric | 0.9381 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346520
Similarity: 0.7744
Similarity to MM346520
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8729 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66625
Similarity: 0.7667
Similarity to MM66625
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8679 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
