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DocumentationIdentifier: MM335822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335822 |
| SMILES |
COC(C)=CC(C#N)C#N
|
| InChIKey |
NVCQFWAPRXPQLC-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143475
Similarity: 0.8969
Similarity to MM143475
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267521
Similarity: 0.7699
Similarity to MM267521
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.87 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227604
Similarity: 0.7652
Similarity to MM227604
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.867 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
