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DocumentationIdentifier: MM169001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169001 |
| SMILES |
CC=C(C)OC=CC#N
|
| InChIKey |
AUVWTXKWCJCAMN-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283922
Similarity: 0.7976
Similarity to MM283922
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106123
Similarity: 0.791
Similarity to MM106123
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284035
Similarity: 0.7882
Similarity to MM284035
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
