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DocumentationIdentifier: MM228862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228862 |
| SMILES |
CNC(C)(C)C(C)(C)C#N
|
| InChIKey |
UALQQSVHJXNSEQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43784
Similarity: 0.6744
Similarity to MM43784
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.8056 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45068
Similarity: 0.6466
Similarity to MM45068
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7854 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242008
Similarity: 0.637
Similarity to MM242008
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7789 |
| Dice metric | 0.7783 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
