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DocumentationIdentifier: MM447939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447939 |
| SMILES |
C#CC1NC1CC#CCN
|
| InChIKey |
RBDIYOVUCZNVPI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217037
Similarity: 0.9055
Similarity to MM217037
| Tanimoto metric | 0.9055 |
|---|---|
| Cosine metric | 0.9516 |
| Dice metric | 0.9504 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447937
Similarity: 0.9
Similarity to MM447937
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9477 |
| Dice metric | 0.9474 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195621
Similarity: 0.8425
Similarity to MM195621
| Tanimoto metric | 0.8425 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9145 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
