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DocumentationIdentifier: MM52128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52128 |
| SMILES |
C#CC(C#CC)=CC=C
|
| InChIKey |
LEILSNQKIPCOOF-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387761
Similarity: 0.8701
Similarity to MM387761
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385227
Similarity: 0.859
Similarity to MM385227
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385200
Similarity: 0.8072
Similarity to MM385200
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
