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DocumentationIdentifier: MM37126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37126 |
| SMILES |
CC=C(C)C=CC#N
|
| InChIKey |
ZRMKZNXJFDQRAW-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47156
Similarity: 0.8929
Similarity to MM47156
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34323
Similarity: 0.8519
Similarity to MM34323
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.92 |
| Dice metric | 0.92 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159196
Similarity: 0.8197
Similarity to MM159196
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
