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DocumentationIdentifier: MM27478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27478 |
| SMILES |
C=CC(C#N)N(C)CC#N
|
| InChIKey |
YEVPUZADSCDCDL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199267
Similarity: 0.703
Similarity to MM199267
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8256 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357008
Similarity: 0.6692
Similarity to MM357008
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8018 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26847
Similarity: 0.6514
Similarity to MM26847
| Tanimoto metric | 0.6514 |
|---|---|
| Cosine metric | 0.7948 |
| Dice metric | 0.7889 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
