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DocumentationIdentifier: MM127531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127531 |
| SMILES |
C#CC1C(C#C)N1C
|
| InChIKey |
QAHIMUYWCUXFCW-UHFFFAOYSA-N
|
| MW [Da] |
105.14
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102365
Similarity: 0.8878
Similarity to MM102365
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 95.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127483
Similarity: 0.7273
Similarity to MM127483
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8421 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127480
Similarity: 0.6519
Similarity to MM127480
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7951 |
| Dice metric | 0.7892 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
