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DocumentationIdentifier: MM79199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79199 |
| SMILES |
CNC(C)C(O)C=CC#N
|
| InChIKey |
QFWWWHFYCIFTPL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355172
Similarity: 0.7153
Similarity to MM355172
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.834 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79213
Similarity: 0.7075
Similarity to MM79213
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8287 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79211
Similarity: 0.6732
Similarity to MM79211
| Tanimoto metric | 0.6732 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8047 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
