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DocumentationIdentifier: MM395381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395381 |
| SMILES |
C#CC=CC(C#N)N(C)C
|
| InChIKey |
NRPQAYSFIRLLOE-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43488
Similarity: 0.7982
Similarity to MM43488
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428147
Similarity: 0.696
Similarity to MM428147
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8208 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39753
Similarity: 0.6825
Similarity to MM39753
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8113 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
