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DocumentationIdentifier: MM229143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229143 |
| SMILES |
C=CC(C)(C#N)CC(C)C
|
| InChIKey |
RYMFQEZMBLMFTH-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139515
Similarity: 0.8824
Similarity to MM139515
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309374
Similarity: 0.8191
Similarity to MM309374
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9006 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309370
Similarity: 0.8
Similarity to MM309370
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
