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DocumentationIdentifier: MM438019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438019 |
| SMILES |
CC=CC1CN1C(C)C#N
|
| InChIKey |
QNIXDPDKVGZKKF-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211028
Similarity: 0.8095
Similarity to MM211028
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194903
Similarity: 0.7798
Similarity to MM194903
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8763 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427933
Similarity: 0.7684
Similarity to MM427933
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.869 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
