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DocumentationIdentifier: MM447569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447569 |
| SMILES |
CCC1CC1OC=CC#N
|
| InChIKey |
RILFSBZVYNPJBM-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216916
Similarity: 0.8769
Similarity to MM216916
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195570
Similarity: 0.7923
Similarity to MM195570
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447601
Similarity: 0.7862
Similarity to MM447601
| Tanimoto metric | 0.7862 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8803 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
