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DocumentationIdentifier: MM357996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357996 |
| SMILES |
C#CC#CC(F)C(C)C#N
|
| InChIKey |
GNTOWWUBLDDJDA-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM357842
Similarity: 0.7583
Similarity to MM357842
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8626 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413521
Similarity: 0.7521
Similarity to MM413521
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8585 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357844
Similarity: 0.7398
Similarity to MM357844
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8505 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
