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DocumentationIdentifier: MM45068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45068 |
| SMILES |
CNC(C)C(C)(C#N)C#N
|
| InChIKey |
AGFSSZXEMTXVLP-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242008
Similarity: 0.6935
Similarity to MM242008
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.819 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228862
Similarity: 0.6466
Similarity to MM228862
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7854 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45021
Similarity: 0.6393
Similarity to MM45021
| Tanimoto metric | 0.6393 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.78 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
