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DocumentationIdentifier: MM169201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169201 |
| SMILES |
C#CC(F)CC#CC#N
|
| InChIKey |
PIDNGMKEWHEDQZ-UHFFFAOYSA-N
|
| MW [Da] |
121.11
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281344
Similarity: 0.8947
Similarity to MM281344
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359247
Similarity: 0.7805
Similarity to MM359247
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8767 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33610
Similarity: 0.7794
Similarity to MM33610
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
