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DocumentationIdentifier: MM377187
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377187 |
| SMILES |
C#CC(CCN)N(C)C=N
|
| InChIKey |
VXHYIDKCCGZDIJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM412220
Similarity: 0.6643
Similarity to MM412220
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7983 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377243
Similarity: 0.662
Similarity to MM377243
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.7966 |
| Dice metric | 0.7966 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82452
Similarity: 0.6376
Similarity to MM82452
| Tanimoto metric | 0.6376 |
|---|---|
| Cosine metric | 0.7789 |
| Dice metric | 0.7787 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
