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DocumentationIdentifier: MM447032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447032 |
| SMILES |
C#CC1C(C#CCN)N1C
|
| InChIKey |
VACRQZKCKKSAER-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212771
Similarity: 0.8855
Similarity to MM212771
| Tanimoto metric | 0.8855 |
|---|---|
| Cosine metric | 0.941 |
| Dice metric | 0.9393 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446303
Similarity: 0.8596
Similarity to MM446303
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9254 |
| Dice metric | 0.9245 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447030
Similarity: 0.8136
Similarity to MM447030
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8972 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
