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DocumentationIdentifier: MM73791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73791 |
| SMILES |
CN=CNCC#CC(C)N
|
| InChIKey |
YTLGXAYUYZPNLH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94533
Similarity: 0.8514
Similarity to MM94533
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68047
Similarity: 0.7391
Similarity to MM68047
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.85 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450578
Similarity: 0.7195
Similarity to MM450578
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8369 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+550 more
