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DocumentationIdentifier: MM15421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15421 |
| SMILES |
C#CC(C)C(C#C)C#N
|
| InChIKey |
DEOZYYIJVUWNAE-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM01983
Similarity: 0.8125
Similarity to MM01983
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53344
Similarity: 0.7826
Similarity to MM53344
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.878 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111661
Similarity: 0.7813
Similarity to MM111661
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+628 more
