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DocumentationIdentifier: MM225501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225501 |
| SMILES |
CC(C)C(C)C(C)(O)C#N
|
| InChIKey |
OGEYYDRIRHYGMH-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137622
Similarity: 0.8125
Similarity to MM137622
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223708
Similarity: 0.7787
Similarity to MM223708
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8756 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76694
Similarity: 0.7244
Similarity to MM76694
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8402 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
